Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 176.901 CA :: 51.557 CB :: 18.078 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.918 HA :: 4.299 HB1 :: 1.183 HB2 :: 1.183 HB3 :: 1.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.761 Ave N Shift Values>> N :: 123.23(3.54) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.08 A 0.01 C Shift Assignments>> C :: 174.196 CA :: 58.596 CB :: 33.308 CG1 :: 18.348 CG2 :: 19.965 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.992 HA :: 4.398 HB :: 1.888 HG11 :: 0.690 HG12 :: 0.690 HG13 :: 0.690 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.983 Ave N Shift Values>> N :: 121.14(4.54) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.15 S 0.02 HN Overlap>> 1.E98 1.E98 C Shift Assignments>> C :: 173.233 CA :: 61.299 CB :: 67.603 CG2 :: 21.043 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.658 HA :: 4.480 HB :: 3.832 HG21 :: 0.887 HG22 :: 0.887 HG23 :: 0.887 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.937 Ave N Shift Values>> N :: 115.42(4.75) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.17 A 0.05 C Shift Assignments>> C :: 175.029 CA :: 57.289 CB :: 37.082 CG1 :: 26.030 CG2 :: 16.595 CD1 :: 10.395 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.127 HA :: 4.009 HB :: 1.768 HG12 :: 1.103 HG13 :: 1.203 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.259 Ave N Shift Values>> N :: 121.46(4.28) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.16 S 0.04 C Shift Assignments>> C :: 172.116 CA :: 62.004 CB :: 67.202 CG2 :: 20.639 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.006 HA :: 4.445 HB :: 4.117 HG21 :: 1.011 HG22 :: 1.011 HG23 :: 1.011 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.777 Ave N Shift Values>> N :: 115.42(4.75) 1.L7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.79 C 0.16 A 0.04 C Shift Assignments>> C :: 175.280 CA :: 51.149 CB :: 40.586 CG :: 27.108 CD1 :: 23.874 CD2 :: 24.682 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.993 HA :: 5.326 HB2 :: 0.090(S) HB3 :: 0.731 HG :: 1.169 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 HD21 :: 0.499 HD22 :: 0.499 HD23 :: 0.499 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.623 Ave N Shift Values>> N :: 121.86(3.9) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.26 M 0.17 E 0.11 K 0.04 Q 0.03 Y 0.03 F 0.02 C Shift Assignments>> C :: 175.773 CA :: 52.845 CB :: 35.904 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.608 HA :: 5.259 HB2 :: 0.984 HB3 :: 1.350 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.31 A 0.08 C Shift Assignments>> C :: 176.857 CA :: 58.032 CB :: 70.653 CG2 :: 20.369 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.564 HA :: 5.126 HB :: 5.069 HG21 :: 1.449 HG22 :: 1.449 HG23 :: 1.449 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.837 Ave N Shift Values>> N :: 115.42(4.75) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.2 D 0.18 N 0.15 C 0.12 L 0.09 I 0.02 C Shift Assignments>> C :: 177.755 CA :: 55.682 CB :: 39.373 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.564 HA :: 4.155 HB2 :: 1.653 HB3 :: 1.782 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.913 Ave N Shift Values>> N :: 121.86(3.9) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.26 R 0.19 Q 0.19 C Shift Assignments>> C :: 174.481 CA :: 54.218 CB :: 26.287 CG :: 33.308 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.650 HA :: 4.427 HB2 :: 1.882 HB3 :: 2.294 HG2 :: 2.270 HG3 :: 2.416 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.739 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.46 V 0.02 R 0.01 Q 0.01 C Shift Assignments>> C :: 174.963 CA :: 55.866 CB :: 23.874 CG :: 32.500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.009 HA :: 3.552 HB2 :: 2.195 HB3 :: 2.293 HG2 :: 2.045 HG3 :: 2.197 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 111.696 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.24 C 0.22 R 0.17 M 0.06 C Shift Assignments>> C :: 175.280 CA :: 54.191 CB :: 28.187 CG :: 32.769 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.270 HA :: 4.516 HB2 :: 1.988 HB3 :: 2.134 HG2 :: 2.269 HG3 :: 2.269 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.780 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.59 C 0.33 A 0.06 C Shift Assignments>> C :: 174.043 CA :: 58.673 CB :: 70.463 CG2 :: 19.695 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.498 HA :: 5.673 HB :: 3.927 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.947 Ave N Shift Values>> N :: 115.42(4.75) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.15 Y 0.12 F 0.09 D 0.08 E 0.05 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 171.744 CA :: 54.263 CB :: 37.891 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.626 HA :: 4.830 HB2 :: 3.039 HB3 :: 3.293 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 120.45(4.18) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.4 A 0.02 C Shift Assignments>> C :: 175.992 CA :: 53.842 CB :: 34.926 CG :: 24.143 CD :: 28.187 CE :: 40.721 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.492 HA :: 5.460 HB2 :: 1.359 HB3 :: 1.542 HG2 :: 1.248 HG3 :: 1.334 HD2 :: 1.439 HD3 :: 1.439 HE2 :: 2.837 HE3 :: 2.837 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.121 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 A 0.2 I 0.09 C Shift Assignments>> C :: 173.868 CA :: 56.703 CB :: 39.643 CG1 :: 25.895 CG2 :: 17.539 CD1 :: 9.452 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.768 HA :: 4.295 HB :: 1.444 HG12 :: 1.188 HG13 :: 1.188 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.131 Ave N Shift Values>> N :: 121.46(4.28) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.33 K 0.25 L 0.01 G 0.01 C Shift Assignments>> C :: 175.127 CA :: 53.875 CB :: 30.208 CG :: 26.300 CD :: 42.069 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.580 HA :: 5.064 HB2 :: 1.569 HB3 :: 1.569 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 2.987 HD3 :: 3.016 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.415 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 C 0.28 M 0.23 HN Overlap>> 1.V72 1.V72 1.I49 1.E176 1.I49 1.E176 C Shift Assignments>> C :: 174.032 CA :: 52.806 CB :: 33.847 CG :: 29.669 CE :: 16.595 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.036 HA :: 4.814 HB2 :: 1.844 HB3 :: 2.023 HG2 :: 2.061 HG3 :: 2.141 HE1 :: 1.864 HE2 :: 1.864 HE3 :: 1.864 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.999 Ave N Shift Values>> N :: 120.09(3.57) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.32 R 0.12 K 0.11 E 0.03 P 0.02 M 0.01 C Shift Assignments>> CA :: 52.717 CB :: 27.243 CG :: 34.252 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.805 HA :: 4.618 HB2 :: 1.581 HB3 :: 2.238 HG2 :: 2.170 HG3 :: 2.323 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.943 Ave N Shift Values>> N :: 120.67(3.48) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 175.116 CA :: 63.211 CB :: 30.613 CD :: 49.078 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.015 HB2 :: 1.853 HB3 :: 2.192 HD2 :: 3.612 HD3 :: 3.855 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.28 L 0.09 C 0.06 F 0.06 Y 0.05 HN Overlap>> 1.S187 1.S187 C Shift Assignments>> C :: 176.331 CA :: 52.852 CB :: 39.778 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.871 HA :: 4.517 HB2 :: 2.516 HB3 :: 2.622 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.400 Ave N Shift Values>> N :: 120.65(3.86) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 Q 0.17 R 0.15 C 0.13 E 0.13 K 0.12 M 0.07 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 175.696 CA :: 55.139 CB :: 29.7669 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.668 HA :: 4.306 HB2 :: 1.666 HB3 :: 2.485 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.604 Ave N Shift Values>> N :: 120.67(3.48) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 A 0.01 C Shift Assignments>> C :: 175.828 CA :: 58.972 CB :: 70.256 CG2 :: 20.639 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.404 HA :: 4.740 HB :: 4.769 HG21 :: 1.066 HG22 :: 1.066 HG23 :: 1.066 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.295 Ave N Shift Values>> N :: 115.42(4.75) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 HN Overlap>> 1.E23 1.Y188 1.E23 1.Y188 C Shift Assignments>> C :: 176.868 CA :: 65.123 CB :: 30.208 CG1 :: 20.100 CG2 :: 24.413 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.670 HA :: 3.374 HB :: 2.587 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 121.14(4.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 K 0.22 C Shift Assignments>> C :: 177.426 CA :: 58.644 CB :: 31.287 CG :: 23.065 CD :: 27.782 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.913 HA :: 3.684 HB2 :: 1.245 HB3 :: 1.365 HG2 :: 1.261 HG3 :: 1.364 HD2 :: 1.484 HD3 :: 1.592 HE2 :: 2.845 HE3 :: 2.845 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.762 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 177.799 CA :: 64.724 CB :: 29.534 CG1 :: 20.369 CG2 :: 21.852 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.217 HA :: 3.688 HB :: 2.344 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.737 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.27 L 0.15 E 0.01 C Shift Assignments>> C :: 177.788 CA :: 57.326 CB :: 38.583 CD1 :: 25.895 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.518 HA :: 4.075 HB2 :: 1.308 HB3 :: 2.384 HG :: 0.882 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.447 Ave N Shift Values>> N :: 121.86(3.9) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.19 M 0.14 Q 0.12 R 0.09 V 0.07 H 0.07 E 0.05 HN Overlap>> 1.S144 1.S144 C Shift Assignments>> C :: 180.197 CA :: 58.277 CB :: 32.904 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.265 HA :: 4.597 HB2 :: 2.101 HB3 :: 2.101 HG2 :: 1.558 HG3 :: 1.558 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.297 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.24 I 0.13 K 0.11 Q 0.11 R 0.01 HN Overlap>> 1.A340 1.A340 C Shift Assignments>> C :: 180.142 CA :: 58.486 CB :: 27.917 CG :: 35.600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.385 HA :: 3.678 HB2 :: 1.896 HB3 :: 2.414 HG2 :: 2.168 HG3 :: 2.543 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.058 Ave N Shift Values>> N :: 120.67(3.48) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 K 0.06 R 0.04 HN Overlap>> 1.T77 1.T77 C Shift Assignments>> C :: 179.726 CA :: 58.894 CB :: 32.230 CG :: 25.626 CD :: 26.030 CE :: 40.856 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.959 HA :: 4.058 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 1.428 HG3 :: 1.771 HD2 :: 1.580 HD3 :: 1.580 HE2 :: 2.851 HE3 :: 2.980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.822 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.26 C Shift Assignments>> C :: 177.010 CA :: 65.506 CB :: 36.129 CG1 :: 23.334 CG2 :: 15.652 CD1 :: 14.035 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.721 HA :: 3.306 HB :: 2.228 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.531 HG22 :: 0.531 HG23 :: 0.531 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.935 Ave N Shift Values>> N :: 121.46(4.28) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 Y 0.12 F 0.12 S 0.12 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 HN Overlap>> 1.E300 1.E300 C Shift Assignments>> C :: 177.470 CA :: 58.430 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.306 HA :: 3.623 HB2 :: 1.875 HB3 :: 1.962 HG2 :: 2.145 HG3 :: 2.145 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.944 Ave N Shift Values>> N :: 120.67(3.48) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 C 0.01 HN Overlap>> 1.I170 1.I170 C Shift Assignments>> C :: 179.474 CA :: 53.256 CB :: 16.977 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.146 HA :: 4.045 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.497 Ave N Shift Values>> N :: 123.23(3.54) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.26 C 0.26 E 0.09 M 0.03 R 0.03 C Shift Assignments>> C :: 177.722 CA :: 57.125 CB :: 29.153 CG :: 33.982 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.886 HA :: 4.069 HB2 :: 1.714 HB3 :: 1.960 HG2 :: 1.914 HG3 :: 2.102 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.901 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.6 C 0.38 HN Overlap>> 1.D58 1.D58 C Shift Assignments>> C :: 177.273 CA :: 52.582 CB :: 32.230 CG :: 21.582 CD :: 25.087(S) CE :: 39.373 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.343 HA :: 4.202 HB2 :: 1.240 HB3 :: 1.547 HG2 :: -0.181(S) HG3 :: 0.439 HD2 :: 0.760(S) HD3 :: 0.844(S) HE2 :: 1.587(S) HE3 :: 1.901(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.826 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.397 CA :: 43.821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.041 HA2 :: 3.772 HA3 :: 4.533 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.393 Ave N Shift Values>> N :: 109.67(3.87) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.32 C 0.17 R 0.14 I 0.01 HN Overlap>> 1.E220 1.E220 1.D296 1.E215 1.D296 1.E215 C Shift Assignments>> C :: 175.900 CA :: 56.833 CG :: 25.626 CD :: 42.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.435 HA :: 3.828 HG2 :: 1.526 HG3 :: 1.586 HD2 :: 3.109 HD3 :: 3.109 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.923 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.17 Y 0.15 F 0.14 C 0.12 L 0.06 I 0.01 E 0.01 HN Overlap>> 1.S216 1.S92 1.S216 1.S92 C Shift Assignments>> C :: 177.186 CA :: 54.873 CB :: 38.924 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.306 HA :: 4.266 HB2 :: 2.506 HB3 :: 2.556 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.784 Ave N Shift Values>> N :: 120.65(3.86) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 C Shift Assignments>> C :: 176.387 CA :: 51.504 CB :: 19.695 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.683 HA :: 4.186 HB1 :: 1.226 HB2 :: 1.226 HB3 :: 1.226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 123.23(3.54) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 D 0.23 F 0.15 Y 0.14 C 0.1 L 0.1 I 0.01 HN Overlap>> 1.S172 1.F71 1.S172 1.F71 C Shift Assignments>> CA :: 54.853 CB :: 39.456 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.021 HA :: 4.546 HB2 :: 2.539 HB3 :: 2.876 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.951 Ave N Shift Values>> N :: 120.45(4.18) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 G 0.05 P 0.03 C Shift Assignments>> C :: 180.591 CA :: 61.689 CB :: 29.385 CD :: 48.269 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.960 HB2 :: 1.871 HB3 :: 2.347 HD2 :: 3.114 HD3 :: 3.184 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 178.775 CA :: 66.338 CB :: 30.747 CG1 :: 20.100 CG2 :: 21.717 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.946 HA :: 3.500 HB :: 1.911 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.234 Ave N Shift Values>> N :: 121.14(4.54) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.32 C 0.01 C Shift Assignments>> C :: 178.180 CA :: 52.852 CB :: 17.404 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.846 HA :: 4.070 HB1 :: 1.342 HB2 :: 1.342 HB3 :: 1.342 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.682 Ave N Shift Values>> N :: 123.23(3.54) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.707 CA :: 43.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.806 HA2 :: 3.556 HA3 :: 4.361 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.953 Ave N Shift Values>> N :: 109.67(3.87) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 R 0.24 Q 0.22 K 0.2 M 0.03 C Shift Assignments>> C :: 176.190 CA :: 56.399 CB :: 27.513 CG :: 32.769 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.351 HA :: 4.529 HB2 :: 1.847 HB3 :: 2.013 HG2 :: 2.492 HG3 :: 2.492 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.724 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 K 0.26 A 0.05 C Shift Assignments>> C :: 173.402 CA :: 54.200 CB :: 33.847 CG :: 23.604 CD :: 28.052 CE :: 40.317 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.074 HA :: 4.359 HB2 :: 1.530 HB3 :: 1.629 HG2 :: 1.194 HG3 :: 1.380 HD2 :: 1.546 HD3 :: 1.603 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.052 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.16 G 0.13 A 0.13 HN Overlap>> 1.A223 1.A223 C Shift Assignments>> C :: 175.449 CA :: 51.481 CB :: 42.743 CD1 :: 23.200 CD2 :: 25.761 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.587 HA :: 5.465 HB2 :: 0.990 HB3 :: 1.471 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 HD21 :: 0.757 HD22 :: 0.757 HD23 :: 0.757 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.036 Ave N Shift Values>> N :: 121.86(3.9) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 HN Overlap>> 1.V72 1.M19 1.V72 1.M19 1.E176 1.E176 C Shift Assignments>> C :: 174.970 CA :: 58.564 CB :: 40.182 CG1 :: 26.704 CG2 :: 17.000 CD1 :: 13.361 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.081 HA :: 4.881 HB :: 1.542 HG12 :: 0.831 HG13 :: 1.280 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.021 Ave N Shift Values>> N :: 121.46(4.28) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.15 F 0.13 Y 0.1 C 0.06 N 0.04 R 0.02 C Shift Assignments>> C :: 174.171 CA :: 55.550 CB :: 41.260 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.039 HA :: 4.878 HB2 :: 2.654 HB3 :: 2.654 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 126.942 Ave N Shift Values>> N :: 120.52(4.2) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.35 C 0.01 C Shift Assignments>> C :: 176.916 CA :: 51.188 CB :: 15.382 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.852 HA :: 3.528 HB1 :: 0.790 HB2 :: 0.790 HB3 :: 0.790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.012 Ave N Shift Values>> N :: 123.23(3.54) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.908 CA :: 44.136 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.345 HA2 :: 3.299 HA3 :: 3.956 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.668 Ave N Shift Values>> N :: 109.67(3.87) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.23 A 0.14 R 0.03 HN Overlap>> 1.Q238 1.Q238 C Shift Assignments>> C :: 174.316 CA :: 53.121 CB :: 33.039 CG :: 23.200 CD :: 27.647 CE :: 40.721 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.884 HA :: 4.516 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.749 HD3 :: 1.791 HE2 :: 3.059 HE3 :: 3.059 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.181 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 HN Overlap>> 1.E169 1.E169 1.E225 1.E225 C Shift Assignments>> C :: 176.829 CA :: 60.314 CB :: 36.678 CG1 :: 27.513 CG2 :: 16.595 CD1 :: 12.282 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.441 HA :: 4.363 HB :: 1.651 HG12 :: 0.888 HG13 :: 1.548 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.451 Ave N Shift Values>> N :: 121.46(4.28) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.81 C 0.18 C Shift Assignments>> C :: 174.331 CA :: 54.092 CB :: 40.047 CG :: 24.952 CD1 :: 19.021(S) CD2 :: 23.604 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.694 HA :: 3.888 HB2 :: 1.152 HB3 :: 1.391 HG :: 1.042 HD11 :: -0.227(S) HD12 :: -0.227(S) HD13 :: -0.227(S) HD21 :: 0.350 HD22 :: 0.350 HD23 :: 0.350 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.662 Ave N Shift Values>> N :: 121.86(3.9) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I281 1.I281 C Shift Assignments>> C :: 173.852 CA :: 56.515 CB :: 62.960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.312 HA :: 4.580 HB2 :: 3.805 HB3 :: 3.981 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.544 Ave N Shift Values>> N :: 116.28(3.52) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.19 F 0.16 D 0.13 Y 0.12 C 0.07 R 0.04 I 0.01 N 0.01 HN Overlap>> 1.A118 1.A118 C Shift Assignments>> C :: 176.001 CA :: 56.760 CB :: 41.530 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.221 HA :: 4.167 HB2 :: 2.452 HB3 :: 2.585 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.344 Ave N Shift Values>> N :: 120.65(3.86) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.05 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 175.115 CA :: 52.770 CB :: 39.239 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.313 HA :: 4.690 HB2 :: 2.566 HB3 :: 2.759 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.724 Ave N Shift Values>> N :: 120.65(3.86) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.39 C Shift Assignments>> CA :: 59.349 CB :: 32.843 CG1 :: 19.965 CG2 :: 21.717 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.744 HA :: 4.274 HB :: 2.388 HG11 :: 0.772 HG12 :: 0.772 HG13 :: 0.772 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.552 Ave N Shift Values>> N :: 121.14(4.54) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 177.846 CA :: 61.208 CB :: 31.421 CG :: 26.839 CD :: 50.291 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.178 HB2 :: 1.805 HB3 :: 2.139 HG2 :: 1.796 HG3 :: 2.029 HD2 :: 3.702 HD3 :: 3.878 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 178.993 CA :: 61.208 CB :: 37.487 CG1 :: 27.513 CG2 :: 17.943 CD1 :: 13.495 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.163 HA :: 4.002 HB :: 1.736 HG12 :: 1.343 HG13 :: 1.343 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.419 Ave N Shift Values>> N :: 121.46(4.28) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.28 L 0.25 R 0.05 C Shift Assignments>> C :: 177.744 CA :: 56.625 CB :: 28.456 CG :: 24.682 CD :: 42.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.511 HA :: 4.151 HB2 :: 1.689 HB3 :: 1.870 HG2 :: 1.455 HG3 :: 1.552 HD2 :: 3.032 HD3 :: 3.032 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.576 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 C 0.17 Y 0.17 F 0.14 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.439 CA :: 55.143 CB :: 38.056 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.912 HA :: 4.217 HB2 :: 2.154 HB3 :: 2.343 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.490 Ave N Shift Values>> N :: 120.65(3.86) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.22 F 0.2 I 0.16 E 0.09 M 0.01 D 0.01 C Shift Assignments>> C :: 173.968 CA :: 58.512 CB :: 37.891 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.465 HA :: 4.342 HB2 :: 2.412 HB3 :: 3.014 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.759 Ave N Shift Values>> N :: 120.52(4.2) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.26 K 0.05 R 0.04 G 0.01 HN Overlap>> 1.V195 1.L254 1.V195 1.L254 C Shift Assignments>> C :: 175.130 CA :: 55.344 CB :: 26.030 CG :: 26.165 CD :: 42.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.565 HA :: 3.762 HB2 :: 1.499 HB3 :: 1.765 HG2 :: 1.766 HG3 :: 1.854 HD2 :: 3.135 HD3 :: 3.135 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.395 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 C Shift Assignments>> C :: 175.725 CA :: 61.191 CB :: 36.139 CG1 :: 26.434 CG2 :: 15.652 CD1 :: 11.339 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.871 HA :: 3.035 HB :: 1.265 HG13 :: 0.851 HG21 :: 0.237 HG22 :: 0.237 HG23 :: 0.237 HD11 :: 0.181 HD12 :: 0.181 HD13 :: 0.181 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.711 Ave N Shift Values>> N :: 121.46(4.28) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 R 0.02 Y 0.02 C Shift Assignments>> C :: 176.887 CA :: 51.814 CB :: 41.665 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.638 HA :: 4.561 HB2 :: 2.601 HB3 :: 2.712 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.319 Ave N Shift Values>> N :: 120.65(3.86) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.28 K 0.17 Q 0.16 I 0.05 R 0.01 C Shift Assignments>> C :: 177.395 CA :: 57.299 CB :: 28.591 CG :: 35.465 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.743 HA :: 4.131 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 2.286 HG3 :: 2.394 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.023 Ave N Shift Values>> N :: 120.67(3.48) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.34 R 0.02 A 0.01 V 0.01 C Shift Assignments>> C :: 177.730 CA :: 55.412 CB :: 30.613 CG :: 23.739 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.694 HA :: 4.196 HB2 :: 1.709 HB3 :: 1.801 HG2 :: 1.339 HG3 :: 1.376 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.434 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.24 C 0.09 L 0.05 F 0.02 Y 0.02 C Shift Assignments>> C :: 173.009 CA :: 49.886 CB :: 39.913 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.920 HA :: 4.824 HB2 :: 2.923 HB3 :: 3.086 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.385 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.21 L 0.14 F 0.12 Y 0.11 C 0.07 K 0.01 HN Overlap>> 1.F41 1.S172 1.F41 1.S172 C Shift Assignments>> C :: 173.576 CA :: 54.469 CB :: 40.047 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.005 HA :: 5.232 HB2 :: 2.678 HB3 :: 2.772 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.977 Ave N Shift Values>> N :: 120.45(4.18) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.M19 1.I49 1.M19 1.I49 C Shift Assignments>> C :: 175.086 CA :: 59.860 CB :: 32.500 CG1 :: 21.178 CG2 :: 21.852 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.002 HA :: 4.428 HB :: 1.836 HG11 :: 0.682 HG12 :: 0.682 HG13 :: 0.682 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.096 Ave N Shift Values>> N :: 121.14(4.54) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 174.912 CA :: 60.804 CB :: 31.960 CG1 :: 19.561 CG2 :: 21.313 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.093 HA :: 4.783 HB :: 1.994 HG11 :: 0.823 HG12 :: 0.823 HG13 :: 0.823 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.258 Ave N Shift Values>> N :: 121.14(4.54) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.16 A 0.07 C Shift Assignments>> C :: 173.677 CA :: 57.434 CB :: 32.500 CG1 :: 20.908 CG2 :: 18.752 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.475 HA :: 4.979 HB :: 1.839 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.769 Ave N Shift Values>> N :: 121.14(4.54) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.32 A 0.26 C Shift Assignments>> C :: 173.924 CA :: 52.852 CB :: 34.387 CG :: 30.478 CE :: 15.787 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.057 HA :: 4.656 HB2 :: 1.908 HB3 :: 2.024 HG2 :: 2.348 HG3 :: 2.348 HE1 :: 1.932 HE2 :: 1.932 HE3 :: 1.932 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.450 Ave N Shift Values>> N :: 120.09(3.57) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 HN Overlap>> 1.D121 1.D121 C Shift Assignments>> C :: 175.885 CA :: 59.456 CB :: 32.904 CG1 :: 19.830 CG2 :: 20.639 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.428 HA :: 4.812 HB :: 1.697 HG11 :: 0.669 HG12 :: 0.669 HG13 :: 0.669 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.626 Ave N Shift Values>> N :: 121.14(4.54) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.K31 1.K31 C Shift Assignments>> C :: 173.532 CA :: 61.073 CB :: 69.473 CG2 :: 20.234 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.879 HA :: 4.417 HB :: 4.312 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.824 Ave N Shift Values>> N :: 115.42(4.75) 1.K78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K80 1.K80 C Shift Assignments>> C :: 176.219 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.433 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.062 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S136 1.S136 C Shift Assignments>> C :: 174.070 CA :: 60.130 CB :: 69.036 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.188 HA :: 4.326 HB :: 4.246 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.171 Ave N Shift Values>> N :: 115.42(4.75) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.07 K 0.06 A 0.05 C 0.05 E 0.04 F 0.03 Y 0.03 S 0.01 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 175.885 CA :: 55.008 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.412 HA :: 4.226 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.042 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 177.962 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.781 Ave N Shift Values>> N :: 123.23(3.54) 1.G82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.953 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.410 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.657 Ave N Shift Values>> N :: 109.67(3.87) 1.Q83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.308 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.242 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.790 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.041 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.541 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.389 Ave N Shift Values>> N :: 109.67(3.87) 1.T85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S143 1.S143 C Shift Assignments>> C :: 176.146 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.506 Ave N Shift Values>> N :: 115.42(4.75) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.474 CA :: 56.650 CB :: 62.825 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.344 HA :: 4.403 HB2 :: 3.741 HB3 :: 3.809 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.342 Ave N Shift Values>> N :: 116.28(3.52) 1.A87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.279 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.228 Ave N Shift Values>> N :: 123.23(3.54) 1.P88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.39 C Shift Assignments>> C :: 176.756 CA :: 61.747 CB :: 30.613 CD :: 49.347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.336 HB2 :: 1.840 HB3 :: 1.840 HD2 :: 3.582 HD3 :: 3.582 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 D 0.11 M 0.1 H 0.09 Q 0.08 R 0.08 K 0.06 C 0.05 N 0.05 E 0.05 A 0.04 F 0.04 Y 0.03 S 0.01 HN Overlap>> 1.E151 1.E151 C Shift Assignments>> C :: 176.607 CA :: 55.278 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.492 HA :: 4.163 HB2 :: 1.823 HB3 :: 1.938 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.795 Ave N Shift Values>> N :: 120.67(3.48) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.37 A 0.26 N 0.16 D 0.06 L 0.02 C 0.02 M 0.02 H 0.01 R 0.01 HN Overlap>> 1.A226 1.A96 1.A226 1.A96 C Shift Assignments>> C :: 177.134 CA :: 51.099 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.309 HA :: 4.219 HB1 :: 1.291 HB2 :: 1.291 HB3 :: 1.291 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.309 Ave N Shift Values>> N :: 123.23(3.54) 1.S92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S216 1.S216 1.D39 1.D39 H Shift Assignments>> H :: 8.299 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.783 Ave N Shift Values>> N :: 116.28(3.52) 1.P93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.962 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T168 1.T168 C Shift Assignments>> C :: 173.881 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.089 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.988 Ave N Shift Values>> N :: 115.42(4.75) 1.A95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.604 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.187 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.798 Ave N Shift Values>> N :: 123.23(3.54) 1.A96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A226 1.A106 1.A226 1.A106 1.A91 1.A91 H Shift Assignments>> H :: 8.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.346 Ave N Shift Values>> N :: 123.23(3.54) 1.P97 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.626 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T4 1.T4 C Shift Assignments>> C :: 176.439 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.621 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.016 Ave N Shift Values>> N :: 120.67(3.48) 1.S99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.433 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.335 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.608 Ave N Shift Values>> N :: 116.28(3.52) 1.S100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.476 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.413 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.831 Ave N Shift Values>> N :: 116.28(3.52) 1.T101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 174.026 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.041 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.646 Ave N Shift Values>> N :: 115.42(4.75) 1.S102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.111 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.096 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.000 Ave N Shift Values>> N :: 116.28(3.52) 1.F103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K122 1.L198 1.K122 1.L198 H Shift Assignments>> H :: 8.155 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.669 Ave N Shift Values>> N :: 120.45(4.18) 1.P104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.117 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A96 1.A96 H Shift Assignments>> H :: 8.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.421 Ave N Shift Values>> N :: 123.23(3.54) 1.P107 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T108 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S109 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.408 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 HN Overlap>> 1.A227 1.A227 C Shift Assignments>> C :: 177.178 CA :: 50.965 CB :: 17.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.256 HA :: 4.210 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.873 Ave N Shift Values>> N :: 123.23(3.54) 1.A118 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.D57 1.D57 1.A183 1.A183 C Shift Assignments>> C :: 177.294 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.205 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.308 Ave N Shift Values>> N :: 123.23(3.54) 1.R119 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.L258 1.E229 1.L258 1.E229 C Shift Assignments>> C :: 176.001 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.238 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.245 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E120 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.696 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.468 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.896 Ave N Shift Values>> N :: 120.67(3.48) 1.D121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.V76 1.V76 C Shift Assignments>> C :: 174.273 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.342 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.614 Ave N Shift Values>> N :: 120.65(3.86) 1.K122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.F103 1.F103 1.L198 1.L198 C Shift Assignments>> C :: 176.132 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.152 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.744 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S138 1.S138 H Shift Assignments>> H :: 8.409 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.789 Ave N Shift Values>> N :: 116.28(3.52) 1.P124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.003 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.12 I 0.11 Y 0.1 F 0.1 T 0.08 V 0.08 E 0.04 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.779 CA :: 59.869 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.277 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.270 Ave N Shift Values>> N :: 116.28(3.52) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 C 0.13 Y 0.12 F 0.12 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.03 I 0.03 V 0.02 T 0.02 L 0.02 HN Overlap>> 1.E127 1.Q217 1.E127 1.Q217 C Shift Assignments>> C :: 174.404 CA :: 58.606 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.363 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 120.67(3.48) 1.E127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E126 1.E126 H Shift Assignments>> H :: 8.319 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 120.67(3.48) 1.S128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S219 1.S295 1.E135 1.S219 1.S295 1.E135 C Shift Assignments>> C :: 174.462 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.434 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.827 Ave N Shift Values>> N :: 115.42(4.75) 1.S133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S136 1.S136 H Shift Assignments>> H :: 8.114 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.282 Ave N Shift Values>> N :: 116.28(3.52) 1.P134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.902 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T132 1.L259 1.T132 1.L259 C Shift Assignments>> C :: 176.466 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.456 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.919 Ave N Shift Values>> N :: 120.67(3.48) 1.S136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T79 1.T79 1.S133 1.S133 C Shift Assignments>> C :: 174.375 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.179 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.247 Ave N Shift Values>> N :: 116.28(3.52) 1.V137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.27 P 0.12 R 0.06 E 0.05 K 0.05 H 0.04 I 0.03 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.155 CA :: 61.073 CB :: 31.421 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.050 HA :: 4.127 HB :: 2.031 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.331 Ave N Shift Values>> N :: 121.14(4.54) 1.S138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S123 1.S123 C Shift Assignments>> C :: 174.810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.315 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.789 Ave N Shift Values>> N :: 116.28(3.52) 1.G139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.323 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.810 Ave N Shift Values>> N :: 109.67(3.87) 1.S140 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T156 1.T156 C Shift Assignments>> C :: 173.082 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.104 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.400 Ave N Shift Values>> N :: 116.28(3.52) 1.V141 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.112 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 121.14(4.54) 1.P142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.061 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.S143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T85 1.T85 C Shift Assignments>> C :: 174.534 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.149 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.423 Ave N Shift Values>> N :: 116.28(3.52) 1.S144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.K29 1.K29 H Shift Assignments>> H :: 8.232 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.377 Ave N Shift Values>> N :: 116.28(3.52) 1.G145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.781 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.G211 1.G211 C Shift Assignments>> C :: 173.605 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.369 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.316 Ave N Shift Values>> N :: 109.67(3.87) 1.R149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I304 1.E306 1.I304 1.E306 C Shift Assignments>> C :: 176.306 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.193 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.766 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.931 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.594 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.461 Ave N Shift Values>> N :: 120.67(3.48) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.09 D 0.09 Q 0.09 R 0.08 K 0.07 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.04 A 0.03 S 0.01 HN Overlap>> 1.E90 1.E90 C Shift Assignments>> C :: 176.132 CA :: 55.547 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.546 HA :: 4.159 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.766 Ave N Shift Values>> N :: 120.67(3.48) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.31 L 0.11 F 0.06 C 0.06 Y 0.05 HN Overlap>> 1.V218 1.V218 C Shift Assignments>> C :: 176.059 CA :: 52.717 CB :: 40.047 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.212 HA :: 4.542 HB2 :: 2.526 HB3 :: 2.627 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 120.65(3.86) 1.A153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 HN Overlap>> 1.A303 1.A303 C Shift Assignments>> C :: 177.628 CA :: 51.639 CB :: 17.539 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.124 HA :: 4.183 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.149 Ave N Shift Values>> N :: 123.23(3.54) 1.A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 177.962 CA :: 51.504 CB :: 17.539 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.164 HA :: 4.210 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.877 Ave N Shift Values>> N :: 123.23(3.54) 1.S155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.694 CA :: 57.569 CB :: 62.825 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.087 HA :: 4.389 HB2 :: 3.803 HB3 :: 3.841 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.290 Ave N Shift Values>> N :: 116.28(3.52) 1.T156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S140 1.S140 C Shift Assignments>> C :: 174.099 CA :: 61.343 CB :: 68.186 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.041 HA :: 4.183 HB :: 4.179 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.420 Ave N Shift Values>> N :: 115.42(4.75) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.17 D 0.16 A 0.14 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.929 CA :: 54.065 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.080 HA :: 4.300 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.496 Ave N Shift Values>> N :: 121.86(3.9) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.22 R 0.09 E 0.08 K 0.07 H 0.06 P 0.06 M 0.04 Q 0.03 I 0.02 HN Overlap>> 1.I294 1.I294 C Shift Assignments>> C :: 175.870 CA :: 60.534 CB :: 31.421 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.083 HA :: 4.143 HB :: 2.043 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.088 Ave N Shift Values>> N :: 121.14(4.54) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 S 0.13 Y 0.11 F 0.11 I 0.1 T 0.07 V 0.07 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.N349 1.N349 C Shift Assignments>> C :: 174.985 CA :: 59.725 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.389 HA :: 4.337 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.193 Ave N Shift Values>> N :: 115.42(4.75) 1.G160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.018 CA :: 44.630 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.657 HA2 :: 3.931 HA3 :: 4.051 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.462 Ave N Shift Values>> N :: 109.67(3.87) 1.S161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.13 Y 0.12 F 0.12 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 175.901 CA :: 58.512 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.458 HA :: 4.344 HB2 :: 3.838 HB3 :: 3.838 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.581 Ave N Shift Values>> N :: 116.28(3.52) 1.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.11 H 0.1 Q 0.1 R 0.09 K 0.08 E 0.06 D 0.06 C 0.06 F 0.05 Y 0.05 N 0.02 S 0.02 A 0.01 C Shift Assignments>> C :: 177.599 CA :: 56.001 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.593 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.753 Ave N Shift Values>> N :: 120.67(3.48) 1.Y163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.27 Y 0.17 F 0.11 E 0.1 V 0.01 M 0.01 HN Overlap>> 1.V301 1.M311 1.V301 1.M311 C Shift Assignments>> C :: 175.929 CA :: 60.399 CB :: 37.082 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.334 HA :: 3.982 HB2 :: 2.948 HB3 :: 2.948 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.741 Ave N Shift Values>> N :: 120.52(4.2) 1.E164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.22 K 0.16 E 0.14 I 0.05 R 0.05 HN Overlap>> 1.E325 1.E325 C Shift Assignments>> C :: 179.232 CA :: 58.108 CB :: 27.782 CG :: 34.791 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.248 HA :: 3.761 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 2.335 HG3 :: 2.335 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.981 Ave N Shift Values>> N :: 120.67(3.48) 1.T165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.S205 1.L356 1.S205 1.L356 C Shift Assignments>> C :: 175.402 CA :: 65.374 CB :: 67.284 CG2 :: 20.504 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.053 HA :: 3.848 HB :: 4.175 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.608 Ave N Shift Values>> N :: 115.42(4.75) 1.M166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.21 C Shift Assignments>> C :: 177.212 CA :: 57.973 CB :: 31.691 CG :: 29.804 CE :: 15.517 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.753 HA :: 4.040 HB2 :: 1.812 HB3 :: 2.009 HG2 :: 2.333 HG3 :: 2.459 HE1 :: 1.961 HE2 :: 1.961 HE3 :: 1.961 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.790 Ave N Shift Values>> N :: 120.09(3.57) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.49 C Shift Assignments>> C :: 178.520 CA :: 57.299 CB :: 40.721 CG :: 24.682 CD1 :: 24.143 CD2 :: 24.278 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.124 HA :: 3.577 HB2 :: 1.065 HB3 :: 1.503 HG :: 1.309 HD11 :: 0.658 HD12 :: 0.658 HD13 :: 0.658 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.003 Ave N Shift Values>> N :: 121.86(3.9) 1.T168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 HN Overlap>> 1.T94 1.T94 C Shift Assignments>> C :: 177.208 CA :: 65.211 CB :: 67.521 CG2 :: 20.369 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.138 HA :: 3.869 HB :: 4.208 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.080 Ave N Shift Values>> N :: 115.42(4.75) 1.E169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 R 0.17 Q 0.13 I 0.12 K 0.11 E 0.09 H 0.09 L 0.07 M 0.01 HN Overlap>> 1.I54 1.E225 1.I54 1.E225 C Shift Assignments>> C :: 179.613 CA :: 58.378 CB :: 27.782 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.367 HA :: 3.967 HB2 :: 1.938 HB3 :: 2.123 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.366 Ave N Shift Values>> N :: 120.67(3.48) 1.I170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 179.443 CA :: 63.960 CB :: 36.139 CG1 :: 27.513 CG2 :: 18.752 CD1 :: 12.282 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.229 HA :: 3.855 HB :: 1.656 HG12 :: 0.692 HG13 :: 1.836 HG21 :: 0.707 HG22 :: 0.707 HG23 :: 0.707 HD11 :: 0.587 HD12 :: 0.587 HD13 :: 0.587 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.447 Ave N Shift Values>> N :: 121.46(4.28) 1.M171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.24 C Shift Assignments>> C :: 180.271 CA :: 58.647 CB :: 32.500 CG :: 30.613 CE :: 14.843 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.777 HA :: 4.340 HB2 :: 2.197 HB3 :: 2.263 HG2 :: 2.436 HG3 :: 2.657 HE1 :: 2.086 HE2 :: 2.086 HE3 :: 2.086 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.938 Ave N Shift Values>> N :: 120.09(3.57) 1.S172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 I 0.12 S 0.12 Y 0.1 F 0.1 T 0.09 V 0.08 E 0.04 K 0.03 R 0.03 H 0.03 Q 0.02 M 0.01 HN Overlap>> 1.F41 1.F41 1.F71 1.F71 C Shift Assignments>> C :: 174.532 CA :: 59.995 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.981 HA :: 4.268 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.920 Ave N Shift Values>> N :: 116.28(3.52) 1.M173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.4 A 0.07 C Shift Assignments>> C :: 175.115 CA :: 55.682 CB :: 31.556 CG :: 31.421 CE :: 16.191 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.765 HA :: 4.230 HB2 :: 2.315 HB3 :: 2.465 HG2 :: 2.543 HG3 :: 2.861 HE1 :: 2.113 HE2 :: 2.113 HE3 :: 2.113 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.307 Ave N Shift Values>> N :: 120.09(3.57) 1.G174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.812 CA :: 43.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.171 HA2 :: 3.538 HA3 :: 3.978 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.734 Ave N Shift Values>> N :: 109.67(3.87) 1.Y175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 D 0.18 F 0.12 Y 0.09 C 0.06 R 0.05 N 0.02 HN Overlap>> 1.F332 1.F332 C Shift Assignments>> C :: 174.693 CA :: 55.952 CB :: 41.665 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.151 HA :: 4.660 HB2 :: 2.223 HB3 :: 2.787 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.937 Ave N Shift Values>> N :: 120.52(4.2) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.26 K 0.17 Q 0.17 M 0.03 I 0.01 HN Overlap>> 1.M19 1.I49 1.M19 1.I49 C Shift Assignments>> C :: 177.259 CA :: 55.143 CB :: 29.130 CG :: 35.600 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.082 HA :: 4.175 HB2 :: 1.828 HB3 :: 2.241 HG2 :: 2.425 HG3 :: 2.425 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.006 Ave N Shift Values>> N :: 120.67(3.48) 1.R177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.22 K 0.21 L 0.01 C Shift Assignments>> C :: 177.531 CA :: 59.725 CB :: 29.669 CG :: 26.704 CD :: 41.800 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.037 HA :: 3.756 HB2 :: 1.699 HB3 :: 1.948 HG2 :: 1.414 HG3 :: 1.560 HD2 :: 3.090 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.354 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.22 Q 0.17 K 0.17 M 0.01 C Shift Assignments>> C :: 179.536 CA :: 58.647 CB :: 27.378 CG :: 32.769 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.326 HA :: 3.897 HB2 :: 1.993 HB3 :: 1.993 HG2 :: 2.291 HG3 :: 2.291 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.149 Ave N Shift Values>> N :: 120.67(3.48) 1.R179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.31 R 0.22 L 0.11 C Shift Assignments>> C :: 178.134 CA :: 57.299 CB :: 28.861 CG :: 26.165 CD :: 42.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.184 HA :: 4.094 HB2 :: 1.827 HB3 :: 1.936 HG2 :: 1.599 HG3 :: 1.832 HD2 :: 3.272 HD3 :: 3.272 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.413 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.423 CA :: 65.953 CB :: 29.669 CG2 :: 22.256 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.896 HA :: 3.313 HB :: 2.048 HG11 :: 0.670 HG12 :: 0.670 HG13 :: 0.670 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.917 Ave N Shift Values>> N :: 121.14(4.54) 1.V181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 179.182 CA :: 65.686 CB :: 30.882 CG1 :: 19.426 CG2 :: 21.987 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.782 HA :: 3.433 HB :: 2.011 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.157 Ave N Shift Values>> N :: 121.14(4.54) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.38 I 0.01 C 0.01 C Shift Assignments>> C :: 179.994 CA :: 53.930 CB :: 16.595 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.518 HA :: 4.015 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.263 Ave N Shift Values>> N :: 123.23(3.54) 1.A183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.41 I 0.01 C 0.01 HN Overlap>> 1.A118 1.A118 C Shift Assignments>> C :: 179.606 CA :: 54.199 CB :: 17.135 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.279 HA :: 3.867 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.234 Ave N Shift Values>> N :: 123.23(3.54) 1.L184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.4 A 0.06 C Shift Assignments>> C :: 178.964 CA :: 56.221 CB :: 39.913 CG :: 26.165 CD1 :: 24.952 CD2 :: 21.987 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.843 HA :: 4.009 HB2 :: 1.729 HB3 :: 1.912 HG :: 1.431 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.498 HD22 :: 0.498 HD23 :: 0.498 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.569 Ave N Shift Values>> N :: 121.86(3.9) 1.R185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.32 L 0.18 R 0.14 C Shift Assignments>> C :: 179.882 CA :: 57.839 CB :: 28.321 CG :: 26.030 CD :: 42.069 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.980 HA :: 4.030 HB2 :: 1.812 HB3 :: 1.812 HG2 :: 1.469 HG3 :: 1.635 HD2 :: 3.112 HD3 :: 3.112 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.156 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C 0.01 C Shift Assignments>> C :: 177.584 CA :: 52.582 CB :: 17.404 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.803 HA :: 3.924 HB1 :: 1.214 HB2 :: 1.214 HB3 :: 1.214 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.629 Ave N Shift Values>> N :: 123.23(3.54) 1.S187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 174.273 CA :: 56.221 CB :: 62.960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.872 HA :: 4.441 HB2 :: 3.634 HB3 :: 4.033 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.394 Ave N Shift Values>> N :: 116.28(3.52) 1.Y188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.19 Q 0.18 M 0.16 R 0.06 H 0.05 V 0.05 E 0.03 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 175.484 CA :: 57.839 CB :: 33.443 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.577 HA :: 4.039 HB2 :: 3.103 HB3 :: 3.103 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.711 Ave N Shift Values>> N :: 120.52(4.2) 1.N189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.25 Q 0.15 K 0.1 E 0.08 N 0.07 H 0.02 R 0.01 Y 0.01 C Shift Assignments>> C :: 172.393 CA :: 53.256 CB :: 34.926 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.061 HA :: 3.987 HB2 :: 2.960 HB3 :: 3.066 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 110.653 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 G 0.21 C 0.15 D 0.04 F 0.01 Y 0.01 C Shift Assignments>> CA :: 48.673 CB :: 38.160 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.407 HA :: 5.129 HB2 :: 2.831 HB3 :: 2.959 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.924 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> C :: 177.032 CA :: 63.769 CB :: 30.613 CG :: 25.356 CD :: 49.752 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.925 HB2 :: 1.798 HB3 :: 2.061 HG2 :: 1.634 HG3 :: 1.938 HD2 :: 3.899 HD3 :: 3.993 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.H192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 C 0.16 E 0.13 H 0.12 R 0.11 I 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 178.020 CA :: 57.704 CB :: 28.456 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.553 HA :: 4.179 HB2 :: 3.092 HB3 :: 3.092 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.24 K 0.16 L 0.1 HN Overlap>> 1.F241 1.F241 C Shift Assignments>> C :: 178.630 CA :: 55.817 CB :: 28.861 CG :: 27.513 CD :: 41.530 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.587 HA :: 3.910 HB2 :: 1.563 HB3 :: 1.643 HG2 :: 1.956 HG3 :: 2.014 HD2 :: 3.077 HD3 :: 3.077 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.815 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.28 I 0.02 C 0.01 HN Overlap>> 1.L327 1.I304 1.L327 1.I304 C Shift Assignments>> C :: 178.703 CA :: 54.469 CB :: 16.461 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.119 HA :: 3.736 HB1 :: 1.199 HB2 :: 1.199 HB3 :: 1.199 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.661 Ave N Shift Values>> N :: 123.23(3.54) 1.V195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 HN Overlap>> 1.L254 1.R65 1.L254 1.R65 C Shift Assignments>> C :: 177.076 CA :: 65.760 CB :: 30.208 CG1 :: 20.234 CG2 :: 22.795 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.564 HA :: 3.328 HB :: 2.011 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.389 Ave N Shift Values>> N :: 121.14(4.54) 1.E196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.15 C 0.13 Y 0.12 F 0.12 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 I 0.04 M 0.03 V 0.03 T 0.02 L 0.02 C Shift Assignments>> C :: 179.487 CA :: 58.782 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.271 HA :: 3.910 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.208 Ave N Shift Values>> N :: 120.67(3.48) 1.Y197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.24 M 0.16 K 0.09 Q 0.08 Y 0.05 F 0.02 N 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 178.935 CA :: 56.356 CB :: 35.600 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.200 HA :: 4.410 HB2 :: 2.974 HB3 :: 3.096 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.508 Ave N Shift Values>> N :: 120.52(4.2) 1.L198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.22 A 0.12 HN Overlap>> 1.F103 1.K122 1.F103 1.K122 C Shift Assignments>> C :: 178.485 CA :: 56.356 CB :: 38.834 CG :: 25.087 CD1 :: 24.952 CD2 :: 21.717 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.178 HA :: 3.760 HB2 :: 0.583 HB3 :: 1.506 HG :: 1.349 HD11 :: 0.039 HD12 :: 0.039 HD13 :: 0.039 HD21 :: 0.384 HD22 :: 0.384 HD23 :: 0.384 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.688 Ave N Shift Values>> N :: 121.86(3.9) 1.L199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.23 A 0.07 HN Overlap>> 1.Q271 1.I324 1.Q271 1.I324 C Shift Assignments>> C :: 179.153 CA :: 55.817 CB :: 41.934 CD1 :: 24.278 CD2 :: 22.121 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.966 HA :: 4.234 HB2 :: 1.489 HB3 :: 1.927 HG :: 1.756 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.467 Ave N Shift Values>> N :: 121.86(3.9) 1.T200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 V 0.01 C Shift Assignments>> C :: 174.970 CB :: 69.430 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.114 HB :: 4.291 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.228 Ave N Shift Values>> N :: 115.42(4.75) 1.G201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.995 CA :: 43.552 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.191 HA2 :: 3.593 HA3 :: 4.140 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.995 Ave N Shift Values>> N :: 109.67(3.87) 1.I202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.36 A 0.02 HN Overlap>> 1.L291 1.L291 C Shift Assignments>> CA :: 57.434 CB :: 37.621 CG1 :: 26.704 CG2 :: 15.921 CD1 :: 12.013 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.223 HA :: 3.908 HB :: 1.599 HG12 :: 0.740 HG13 :: 1.485 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 HD11 :: 0.741 HD12 :: 0.741 HD13 :: 0.741 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.685 Ave N Shift Values>> N :: 121.46(4.28) 1.P203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.44 C Shift Assignments>> C :: 176.880 CA :: 62.017 CB :: 30.613 CG :: 26.030 CD :: 49.347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.220 HB2 :: 1.753 HB3 :: 2.089 HG2 :: 1.665 HG3 :: 1.742 HD2 :: 2.878 HD3 :: 3.251 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.590 CA :: 43.821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.437 HA2 :: 3.877 HA3 :: 3.877 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.891 Ave N Shift Values>> N :: 109.67(3.87) 1.S205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L356 1.T165 1.L356 1.T165 C Shift Assignments>> CA :: 55.008 CB :: 62.017 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.078 HA :: 4.701 HB2 :: 3.677 HB3 :: 3.767 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.535 Ave N Shift Values>> N :: 116.28(3.52) 1.P206 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E207 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P208 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.568 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E209 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.332 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.505 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.160 Ave N Shift Values>> N :: 120.67(3.48) 1.H210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 V 0.16 K 0.15 M 0.15 P 0.12 R 0.07 H 0.05 Q 0.04 E 0.03 C Shift Assignments>> C :: 175.280 CB :: 32.365 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.431 HA :: 4.349 HB2 :: 2.210 HB3 :: 2.287 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G211 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.G148 1.G148 C Shift Assignments>> C :: 173.649 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.455 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.253 Ave N Shift Values>> N :: 109.67(3.87) 1.S212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.372 CA :: 57.030 CB :: 62.421 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.254 HA :: 4.446 HB2 :: 3.788 HB3 :: 3.788 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.670 Ave N Shift Values>> N :: 116.28(3.52) 1.V213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.26 P 0.1 R 0.07 E 0.06 K 0.05 H 0.05 M 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.926 CA :: 60.938 CB :: 31.421 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.246 HA :: 4.043 HB :: 2.007 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.965 Ave N Shift Values>> N :: 121.14(4.54) 1.Q214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.23 R 0.21 Q 0.19 M 0.07 C Shift Assignments>> C :: 175.707 CA :: 54.469 CB :: 28.187 CG :: 32.365 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.461 HA :: 4.259 HB2 :: 1.889 HB3 :: 2.000 HG2 :: 2.274 HG3 :: 2.274 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.336 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E215 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 D 0.1 H 0.09 Q 0.08 R 0.08 K 0.07 C 0.05 E 0.05 N 0.04 F 0.04 Y 0.04 A 0.03 S 0.01 HN Overlap>> 1.E220 1.R38 1.E220 1.R38 C Shift Assignments>> C :: 176.270 CA :: 55.412 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.489 HA :: 4.200 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.924 Ave N Shift Values>> N :: 120.67(3.48) 1.S216 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.11 K 0.1 R 0.09 C 0.09 F 0.09 Y 0.08 H 0.08 Q 0.08 M 0.07 S 0.05 L 0.05 D 0.02 I 0.01 HN Overlap>> 1.S92 1.D39 1.S92 1.D39 C Shift Assignments>> C :: 174.142 CA :: 57.299 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.364 HA :: 4.369 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.826 Ave N Shift Values>> N :: 116.28(3.52) 1.Q217 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E126 1.E126 C Shift Assignments>> C :: 175.653 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.426 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.502 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.17 V 0.16 C 0.1 S 0.06 F 0.06 Y 0.06 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.L262 1.D152 1.L262 1.D152 C Shift Assignments>> C :: 175.915 CA :: 61.073 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.170 HA :: 4.064 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.387 Ave N Shift Values>> N :: 121.14(4.54) 1.S219 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T132 1.T132 1.S295 1.S295 C Shift Assignments>> C :: 174.010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.376 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.760 Ave N Shift Values>> N :: 116.28(3.52) 1.E220 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R38 1.D296 1.E215 1.R38 1.D296 1.E215 C Shift Assignments>> C :: 175.806 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.439 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.858 Ave N Shift Values>> N :: 120.67(3.48) 1.Q221 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 P 0.18 C 0.15 R 0.15 Q 0.09 H 0.09 K 0.05 E 0.02 M 0.01 C Shift Assignments>> CA :: 52.178 CB :: 27.647 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.380 HA :: 4.529 HB2 :: 1.850 HB3 :: 2.004 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.748 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 176.393 CA :: 61.612 CB :: 30.747 CD :: 49.617 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.341 HB2 :: 1.836 HB3 :: 2.195 HD2 :: 3.574 HD3 :: 3.694 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 177.791 CA :: 51.234 CB :: 17.539 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.499 HA :: 4.292 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.989 Ave N Shift Values>> N :: 123.23(3.54) 1.T224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 174.287 CA :: 60.669 CB :: 68.351 CG2 :: 20.774 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.130 HA :: 4.269 HB :: 4.165 HG21 :: 1.133 HG22 :: 1.133 HG23 :: 1.133 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.652 Ave N Shift Values>> N :: 115.42(4.75) 1.E225 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E169 1.I54 1.E169 1.I54 C Shift Assignments>> C :: 175.856 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.413 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.402 Ave N Shift Values>> N :: 120.67(3.48) 1.A226 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A96 1.A91 1.A96 1.A91 C Shift Assignments>> C :: 177.149 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.301 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.280 Ave N Shift Values>> N :: 123.23(3.54) 1.A227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 HN Overlap>> 1.A117 1.A117 C Shift Assignments>> C :: 177.991 CA :: 51.234 CB :: 17.943 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306 HA :: 4.227 HB1 :: 1.317 HB2 :: 1.317 HB3 :: 1.317 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.852 Ave N Shift Values>> N :: 123.23(3.54) 1.G228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.28 G 0.23 F 0.04 D 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 173.704 CA :: 43.956 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307 HA2 :: 3.862 HA3 :: 3.900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.114 Ave N Shift Values>> N :: 109.67(3.87) 1.E229 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.14 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 N 0.07 K 0.06 A 0.05 C 0.05 E 0.04 F 0.03 Y 0.03 S 0.01 HN Overlap>> 1.L258 1.L258 1.R119 1.R119 C Shift Assignments>> C :: 175.725 CA :: 55.008 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.155 HA :: 4.167 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.184 Ave N Shift Values>> N :: 120.67(3.48) 1.N230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 C 0.2 G 0.07 D 0.03 F 0.01 Y 0.01 M 0.01 C Shift Assignments>> CA :: 49.078 CB :: 37.487 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.706 HA :: 4.856 HB2 :: 2.728 HB3 :: 2.964 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.670 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.54 P 0.45 C Shift Assignments>> C :: 176.553 CA :: 62.691 CB :: 30.747 CG :: 25.221 CD :: 49.752 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.297 HB2 :: 1.259 HB3 :: 2.049 HG2 :: 1.255 HG3 :: 1.546 HD2 :: 3.547 HD3 :: 3.737 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L232 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 C 0.06 L 0.05 M 0.01 C Shift Assignments>> C :: 176.553 CA :: 52.178 CD1 :: 21.313 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.949 HA :: 4.243 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.741 Ave N Shift Values>> N :: 121.86(3.9) 1.E233 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 Y 0.12 F 0.12 S 0.1 E 0.08 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 177.730 CA :: 58.243 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.387 HA :: 3.678 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 120.67(3.48) 1.F234 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.25 Y 0.1 M 0.09 F 0.05 K 0.05 I 0.04 Q 0.02 N 0.01 V 0.01 C Shift Assignments>> C :: 176.108 CA :: 57.434 CB :: 36.139 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.804 HA :: 4.334 HB2 :: 3.018 HB3 :: 3.112 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.654 Ave N Shift Values>> N :: 120.45(4.18) 1.L235 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.3 A 0.09 C Shift Assignments>> C :: 177.703 CA :: 54.873 CB :: 40.047 CD1 :: 22.795 CD2 :: 24.682 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.229 HA :: 3.496 HB2 :: 0.668 HB3 :: 0.860 HD11 :: 0.533 HD12 :: 0.533 HD13 :: 0.533 HD21 :: 0.596 HD22 :: 0.596 HD23 :: 0.596 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.601 Ave N Shift Values>> N :: 121.86(3.9) 1.R236 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 C 0.2 L 0.14 I 0.12 Q 0.1 H 0.06 E 0.05 K 0.04 C Shift Assignments>> C :: 176.555 CA :: 58.243 CG :: 26.974 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.276 HA :: 3.470 HB2 :: 1.271 HB3 :: 1.553 HG2 :: 1.405 HG3 :: 1.475 HD2 :: 3.061 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.444 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D237 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.31 L 0.1 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.105 CA :: 52.447 CB :: 40.047 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.516 HA :: 4.714 HB2 :: 2.519 HB3 :: 2.796 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.431 Ave N Shift Values>> N :: 120.65(3.86) 1.Q238 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.29 C 0.26 R 0.25 Q 0.1 K 0.06 M 0.02 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> CA :: 52.312 CB :: 26.974 CG :: 32.500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.953 HA :: 4.662 HB2 :: 2.194 HB3 :: 2.396 HG2 :: 2.503 HG3 :: 2.559 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.193 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P239 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 178.625 CA :: 64.308 CB :: 30.747 CG :: 26.434 CD :: 50.021 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.260 HB2 :: 1.940 HB3 :: 2.362 HG2 :: 2.046 HG3 :: 2.136 HD2 :: 3.896 HD3 :: 4.056 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q240 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.11 E 0.1 K 0.08 S 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 L 0.03 I 0.02 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 178.630 CA :: 57.839 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.072 HA :: 4.168 HG2 :: 2.404 HG3 :: 2.404 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.742 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F241 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 I 0.27 F 0.23 C 0.18 E 0.01 HN Overlap>> 1.R193 1.R193 C Shift Assignments>> C :: 176.219 CA :: 59.725 CB :: 38.700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.620 HA :: 4.288 HB2 :: 3.006 HB3 :: 3.433 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.791 Ave N Shift Values>> N :: 120.45(4.18) 1.Q242 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.28 R 0.26 Q 0.04 C Shift Assignments>> C :: 178.710 CA :: 57.569 CB :: 26.030 CG :: 31.960 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.021 HA :: 3.666 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.435 HG3 :: 2.509 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.285 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N243 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.21 E 0.16 Y 0.13 F 0.09 M 0.07 D 0.03 I 0.01 K 0.01 L 0.01 C Shift Assignments>> C :: 176.441 CA :: 55.008 CB :: 37.217 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.187 HA :: 4.378 HB2 :: 2.709 HB3 :: 2.762 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.952 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M244 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.43 HN Overlap>> 1.Q272 1.Q272 C Shift Assignments>> C :: 176.719 CA :: 58.243 CB :: 31.826 CG :: 31.421 CE :: 16.056 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.644 HA :: 3.792 HB2 :: 1.837 HB3 :: 2.153 HG2 :: 2.357 HG3 :: 2.769 HE1 :: 2.003 HE2 :: 2.003 HE3 :: 2.003 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.991 Ave N Shift Values>> N :: 120.09(3.57) 1.R245 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 L 0.15 R 0.12 G 0.01 C Shift Assignments>> C :: 177.364 CA :: 58.378 CB :: 28.456 CG :: 25.491 CD :: 42.339 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.957 HA :: 3.513 HB2 :: 1.277 HB3 :: 1.567 HG2 :: 1.280 HG3 :: 1.360 HD2 :: 2.833 HD3 :: 3.067 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.480 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q246 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.14 Q 0.13 M 0.01 C Shift Assignments>> C :: 178.416 CA :: 57.434 CB :: 26.839 CG :: 32.365 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.482 HA :: 3.916 HB2 :: 2.101 HB3 :: 2.101 HG2 :: 2.277 HG3 :: 2.382 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.080 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V247 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 178.515 CA :: 64.764 CB :: 30.478 CG1 :: 21.178 CG2 :: 21.313 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.857 HA :: 3.634 HB :: 1.995 HG11 :: 0.853 HG12 :: 0.853 HG13 :: 0.853 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.814 Ave N Shift Values>> N :: 121.14(4.54) 1.I248 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 176.930 CA :: 61.073 CB :: 35.465 CG1 :: 27.378 CG2 :: 17.269 CD1 :: 12.013 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.118 HA :: 3.728 HB :: 1.880 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.514 Ave N Shift Values>> N :: 121.46(4.28) 1.Q249 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.25 Q 0.18 K 0.17 M 0.01 C Shift Assignments>> C :: 177.512 CA :: 57.030 CB :: 26.704 CG :: 32.904 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.649 HA :: 3.920 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.350 HG3 :: 2.530 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.630 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q250 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 M 0.11 H 0.1 Q 0.09 R 0.09 K 0.08 D 0.07 E 0.06 C 0.06 F 0.05 Y 0.04 N 0.03 A 0.02 S 0.02 C Shift Assignments>> C :: 176.879 CA :: 55.817 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.327 HA :: 4.226 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.307 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N251 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.21 D 0.02 M 0.02 Y 0.01 F 0.01 G 0.01 C Shift Assignments>> CA :: 49.617 CB :: 37.217 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.143 HA :: 4.919 HB2 :: 2.664 HB3 :: 2.854 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.429 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P252 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.54 C 0.44 C Shift Assignments>> C :: 178.193 CA :: 63.634 CB :: 30.478 CG :: 25.761 CD :: 49.078 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.314 HB2 :: 1.936 HB3 :: 2.368 HG2 :: 2.078 HG3 :: 2.078 HD2 :: 3.457 HD3 :: 3.770 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A253 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.33 C Shift Assignments>> C :: 178.404 CA :: 52.178 CB :: 16.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.863 HA :: 4.165 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.383 Ave N Shift Values>> N :: 123.23(3.54) 1.L254 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 C 0.18 L 0.14 HN Overlap>> 1.V195 1.V195 1.R65 1.R65 C Shift Assignments>> C :: 176.894 CA :: 53.795 CB :: 40.721 CD1 :: 20.908 CD2 :: 24.278 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.651 HA :: 4.256 HB2 :: 1.566 HB3 :: 1.668 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.343 Ave N Shift Values>> N :: 121.86(3.9) 1.L255 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.24 C Shift Assignments>> CA :: 59.052 CB :: 40.586 CG :: 24.547 CD1 :: 24.008 CD2 :: 22.661 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.375 HA :: 4.087 HB2 :: 1.576 HB3 :: 1.713 HG :: 0.822 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.947 HD22 :: 0.947 HD23 :: 0.947 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.279 Ave N Shift Values>> N :: 121.86(3.9) 1.P256 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 179.232 CA :: 64.173 CB :: 30.478 CG :: 27.108 CD :: 49.347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.261 HB2 :: 2.363 HB3 :: 2.423 HG2 :: 1.939 HG3 :: 2.078 HD2 :: 3.600 HD3 :: 3.700 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A257 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.44 C 0.01 I 0.01 C Shift Assignments>> C :: 180.545 CA :: 53.660 CB :: 16.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.547 HA :: 4.118 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.293 Ave N Shift Values>> N :: 123.23(3.54) 1.L258 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.34 A 0.09 K 0.02 HN Overlap>> 1.E229 1.R119 1.E229 1.R119 C Shift Assignments>> C :: 180.156 CA :: 56.491 CB :: 40.317 CD1 :: 21.987 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.194 HA :: 4.090 HB2 :: 1.572 HB3 :: 1.869 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.289 Ave N Shift Values>> N :: 121.86(3.9) 1.L259 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.24 A 0.12 HN Overlap>> 1.E135 1.E135 C Shift Assignments>> C :: 178.637 CA :: 56.625 CB :: 39.643 CD1 :: 21.448 CD2 :: 24.143 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.488 HA :: 3.956 HB2 :: 1.379 HB3 :: 1.822 HG :: 1.722 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.781 HD22 :: 0.781 HD23 :: 0.781 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 121.86(3.9) 1.Q260 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 178.954 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.955 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.207 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q261 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.25 L 0.19 C 0.17 Q 0.11 I 0.07 H 0.06 K 0.06 E 0.05 C Shift Assignments>> C :: 178.409 CA :: 57.434 CB :: 26.839 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.888 HA :: 3.989 HB2 :: 2.113 HB3 :: 2.113 HG2 :: 2.282 HG3 :: 2.390 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.818 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L262 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.25 C 0.21 I 0.01 HN Overlap>> 1.V218 1.V218 1.F360 1.F360 C Shift Assignments>> C :: 178.781 CA :: 56.625 CB :: 40.721 CD2 :: 23.874 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.192 HA :: 4.092 HB2 :: 1.694 HB3 :: 1.731 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.828 HD22 :: 0.828 HD23 :: 0.828 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.431 Ave N Shift Values>> N :: 121.86(3.9) 1.G263 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.370 CA :: 46.247 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.260 HA2 :: 3.572 HA3 :: 3.766 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.365 Ave N Shift Values>> N :: 109.67(3.87) 1.Q264 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.32 Q 0.17 K 0.13 M 0.02 C Shift Assignments>> C :: 177.212 CA :: 56.356 CB :: 26.974 CG :: 32.500 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.443 HA :: 4.098 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.388 HG3 :: 2.422 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.847 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E265 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.16 R 0.15 E 0.15 C 0.13 K 0.12 M 0.06 I 0.01 HN Overlap>> 1.E322 1.E322 C Shift Assignments>> C :: 176.768 CA :: 56.086 CB :: 29.804 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.717 HA :: 4.223 HB2 :: 1.964 HB3 :: 2.040 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.894 Ave N Shift Values>> N :: 120.67(3.48) 1.N266 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.2 D 0.03 G 0.01 M 0.01 Y 0.01 F 0.01 C Shift Assignments>> CA :: 49.482 CB :: 37.352 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.718 HA :: 4.953 HB2 :: 2.573 HB3 :: 3.015 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.738 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P267 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.29 G 0.02 C Shift Assignments>> C :: 179.399 CA :: 64.308 CG :: 25.895 CD :: 48.808 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.263 HG2 :: 2.080 HG3 :: 2.080 HD2 :: 3.321 HD3 :: 3.774 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q268 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.19 Q 0.16 M 0.15 V 0.07 R 0.07 H 0.06 E 0.03 C Shift Assignments>> C :: 178.223 CA :: 58.243 CG :: 33.308 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.579 HA :: 4.036 HB2 :: 1.951 HB3 :: 2.060 HG2 :: 2.398 HG3 :: 2.480 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.852 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L269 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 A 0.06 C Shift Assignments>> C :: 178.519 CA :: 55.817 CB :: 40.452 CG :: 25.895 CD2 :: 22.391 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.479 HA :: 4.266 HB2 :: 1.493 HB3 :: 1.643 HG :: 0.953 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 1.021 HD22 :: 1.021 HD23 :: 1.021 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.851 Ave N Shift Values>> N :: 121.86(3.9) 1.L270 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.46 I 0.03 K 0.01 C Shift Assignments>> C :: 178.848 CA :: 56.356 CB :: 39.373 CD1 :: 24.008 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.492 HA :: 3.883 HB2 :: 1.231 HB3 :: 1.859 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.281 Ave N Shift Values>> N :: 121.86(3.9) 1.Q271 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 C 0.18 L 0.18 K 0.11 Q 0.08 I 0.08 H 0.05 E 0.03 HN Overlap>> 1.L199 1.L199 C Shift Assignments>> C :: 178.249 CA :: 57.704 CB :: 26.434 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.985 HA :: 4.167 HB2 :: 2.023 HB3 :: 2.023 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.551 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q272 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.17 Q 0.13 K 0.1 L 0.09 I 0.09 H 0.09 E 0.09 HN Overlap>> 1.M244 1.M244 C Shift Assignments>> C :: 178.223 CA :: 57.973 CB :: 27.647 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.677 HA :: 4.051 HB2 :: 2.125 HB3 :: 2.254 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.884 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I273 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 177.375 CA :: 64.443 CB :: 36.678 CG1 :: 28.187 CG2 :: 14.574 CD1 :: 12.822 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.206 HA :: 3.361 HB :: 1.510 HG12 :: 0.380 HG13 :: 1.464 HG21 :: -0.019 HG22 :: -0.019 HG23 :: -0.019 HD11 :: 0.235 HD12 :: 0.235 HD13 :: 0.235 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.169 Ave N Shift Values>> N :: 121.46(4.28) 1.S274 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 I 0.13 S 0.11 Y 0.1 F 0.1 T 0.1 V 0.09 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> C :: 175.922 CA :: 60.130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.272 HA :: 4.033 HB2 :: 3.837 HB3 :: 3.837 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.297 Ave N Shift Values>> N :: 116.28(3.52) 1.R275 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.17 H 0.15 E 0.14 C 0.13 R 0.11 M 0.03 I 0.02 L 0.02 C Shift Assignments>> C :: 175.904 CA :: 56.760 CB :: 28.995 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.418 HA :: 3.820 HB2 :: 1.638 HB3 :: 1.724 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.430 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H276 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 Q 0.17 H 0.16 K 0.13 R 0.11 L 0.11 E 0.05 M 0.03 P 0.01 C Shift Assignments>> C :: 175.405 CA :: 52.852 CB :: 28.456 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.670 HA :: 5.058 HB2 :: 2.772 HB3 :: 3.343 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.360 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q277 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.21 R 0.16 Q 0.09 K 0.08 E 0.07 H 0.06 L 0.05 C Shift Assignments>> C :: 177.759 CA :: 59.321 CB :: 27.647 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.702 HA :: 3.973 HB2 :: 2.038 HB3 :: 2.208 HG2 :: 2.333 HG3 :: 2.333 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.512 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E278 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 C 0.2 I 0.15 Q 0.11 L 0.09 K 0.07 E 0.07 H 0.07 C Shift Assignments>> C :: 178.960 CA :: 58.647 CB :: 27.378 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.884 HA :: 3.965 HB2 :: 1.941 HB3 :: 2.026 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.092 Ave N Shift Values>> N :: 120.67(3.48) 1.Q279 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 Y 0.12 C 0.11 E 0.09 S 0.09 K 0.08 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 HN Overlap>> 1.V316 1.V337 1.V316 1.V337 C Shift Assignments>> C :: 178.354 CA :: 57.973 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.057 HA :: 4.049 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.523 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F280 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 Y 0.24 C 0.22 F 0.18 E 0.06 HN Overlap>> 1.L355 1.L355 C Shift Assignments>> C :: 176.161 CA :: 59.725 CB :: 37.891 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.329 HA :: 4.108 HB2 :: 2.986 HB3 :: 3.243 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.236 Ave N Shift Values>> N :: 120.45(4.18) 1.I281 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.43 HN Overlap>> 1.S56 1.S56 C Shift Assignments>> C :: 178.354 CA :: 62.556 CB :: 35.734 CG1 :: 27.513 CG2 :: 16.191 CD1 :: 10.530 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.342 HA :: 3.333 HB :: 1.938 HG12 :: 1.368 HG13 :: 1.651 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.649 Ave N Shift Values>> N :: 121.46(4.28) 1.Q282 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 C 0.13 Y 0.12 F 0.12 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 179.120 CA :: 58.647 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.763 HA :: 3.964 HB3 :: 2.120 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.159 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M283 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.31 HN Overlap>> 1.N359 1.N359 C Shift Assignments>> C :: 178.901 CA :: 57.569 CB :: 32.500 CG :: 30.613 CE :: 14.843 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.985 HA :: 4.069 HB2 :: 2.074 HB3 :: 2.127 HG2 :: 2.353 HG3 :: 2.683 HE1 :: 1.558 HE2 :: 1.558 HE3 :: 1.558 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.708 Ave N Shift Values>> N :: 120.09(3.57) 1.L284 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.3 A 0.04 HN Overlap>> 1.V297 1.V297 C Shift Assignments>> C :: 176.713 CA :: 55.817 CB :: 40.856 CD1 :: 22.795 CD2 :: 24.682 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.124 HA :: 3.688 HB2 :: 1.178 HB3 :: 1.515 HD11 :: 0.364 HD12 :: 0.364 HD13 :: 0.364 HD21 :: 0.371 HD22 :: 0.371 HD23 :: 0.371 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.879 Ave N Shift Values>> N :: 121.86(3.9) 1.N285 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.14 C 0.08 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.C344 1.C344 C Shift Assignments>> C :: 174.689 CA :: 52.043 CB :: 38.700 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.380 HA :: 4.526 HB2 :: 2.547 HB3 :: 2.782 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.861 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E286 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 A 0.17 D 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.795 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.290 HA :: 4.368 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.729 Ave N Shift Values>> N :: 120.67(3.48) 1.P287 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.17 H 0.05 R 0.03 Q 0.02 M 0.02 G 0.02 K 0.01 C Shift Assignments>> CB :: 29.534 CD :: 49.347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.833 HB3 :: 2.279 HD2 :: 3.573 HD3 :: 3.844 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P288 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 177.048 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G289 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.640 CA :: 43.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.319 HA2 :: 3.767 HA3 :: 3.930 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.790 Ave N Shift Values>> N :: 109.67(3.87) 1.E290 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 C 0.13 E 0.12 R 0.1 L 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 176.171 CA :: 55.952 CB :: 28.591 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.322 HA :: 4.147 HB2 :: 1.868 HB3 :: 1.969 HG2 :: 2.198 HG3 :: 2.198 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.578 Ave N Shift Values>> N :: 120.67(3.48) 1.L291 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 D 0.22 Y 0.17 I 0.1 L 0.09 N 0.08 C 0.05 K 0.02 HN Overlap>> 1.I202 1.I202 C Shift Assignments>> C :: 176.718 CB :: 40.452 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.324 HA :: 4.261 HB2 :: 1.441 HB3 :: 1.574 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.657 Ave N Shift Values>> N :: 121.86(3.9) 1.A292 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.01 C Shift Assignments>> C :: 176.932 CA :: 51.504 CB :: 19.561 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.234 HA :: 4.156 HB1 :: 1.200 HB2 :: 1.200 HB3 :: 1.200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.065 Ave N Shift Values>> N :: 123.23(3.54) 1.D293 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.3 L 0.1 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 176.768 CA :: 52.986 CB :: 39.913 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.287 HA :: 4.517 HB2 :: 2.481 HB3 :: 2.627 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.064 Ave N Shift Values>> N :: 120.65(3.86) 1.I294 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 HN Overlap>> 1.V158 1.V158 C Shift Assignments>> C :: 176.000 CA :: 59.725 CB :: 37.487 CG1 :: 25.761 CG2 :: 16.461 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.065 HA :: 4.168 HB :: 1.840 HG12 :: 1.104 HG13 :: 1.359 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.135 Ave N Shift Values>> N :: 121.46(4.28) 1.S295 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T132 1.S219 1.T132 1.S219 C Shift Assignments>> C :: 173.965 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.389 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.788 Ave N Shift Values>> N :: 116.28(3.52) 1.D296 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E220 1.R38 1.E220 1.R38 C Shift Assignments>> C :: 175.896 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.359 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.907 Ave N Shift Values>> N :: 120.65(3.86) 1.V297 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 T 0.16 V 0.15 C 0.11 S 0.07 F 0.07 Y 0.07 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.L284 1.L284 C Shift Assignments>> C :: 176.066 CA :: 60.938 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.033 HA :: 4.035 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 121.14(4.54) 1.E298 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.691 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.444 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.619 Ave N Shift Values>> N :: 120.67(3.48) 1.G299 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.655 CA :: 43.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.327 HA2 :: 3.849 HA3 :: 3.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.004 Ave N Shift Values>> N :: 109.67(3.87) 1.E300 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.29 N 0.24 D 0.12 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 HN Overlap>> 1.E33 1.E33 C Shift Assignments>> C :: 176.474 CA :: 53.021 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.244 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.875 Ave N Shift Values>> N :: 120.67(3.48) 1.V301 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 HN Overlap>> 1.Y163 1.Y163 1.M311 1.M311 C Shift Assignments>> C :: 176.554 CA :: 61.208 CB :: 31.287 CG1 :: 19.965 CG2 :: 19.156 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.275 HA :: 4.033 HB :: 2.001 HG11 :: 0.846 HG12 :: 0.846 HG13 :: 0.846 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.766 Ave N Shift Values>> N :: 121.14(4.54) 1.G302 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 L 0.24 D 0.16 F 0.1 Y 0.07 R 0.04 C 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 173.358 CA :: 41.868 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.486 Ave N Shift Values>> N :: 109.67(3.87) 1.A303 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 HN Overlap>> 1.A153 1.A153 C Shift Assignments>> C :: 177.294 CA :: 50.965 CB :: 17.808 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.120 HA :: 4.260 HB1 :: 1.272 HB2 :: 1.272 HB3 :: 1.272 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.048 Ave N Shift Values>> N :: 123.23(3.54) 1.I304 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.48 HN Overlap>> 1.R149 1.A194 1.L327 1.R149 1.A194 1.L327 1.E306 1.E306 C Shift Assignments>> C :: 176.597 CA :: 59.860 CB :: 37.487 CG1 :: 26.030 CG2 :: 16.191 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.163 HA :: 4.090 HB :: 1.791 HG12 :: 1.125 HG13 :: 1.408 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.658 Ave N Shift Values>> N :: 121.46(4.28) 1.G305 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.24 D 0.15 F 0.1 Y 0.06 R 0.04 C 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 173.604 CA :: 41.906 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.449 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.029 Ave N Shift Values>> N :: 109.67(3.87) 1.E306 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.R149 1.I304 1.R149 1.I304 C Shift Assignments>> C :: 176.112 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.230 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 120.67(3.48) 1.E307 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.F354 1.F354 C Shift Assignments>> C :: 175.571 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.480 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.317 Ave N Shift Values>> N :: 120.67(3.48) 1.A308 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.1 G 0.05 C 0.01 C Shift Assignments>> CA :: 49.213 CB :: 16.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.355 HA :: 4.501 HB1 :: 1.273 HB2 :: 1.273 HB3 :: 1.273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.792 Ave N Shift Values>> N :: 123.23(3.54) 1.P309 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 P 0.07 C Shift Assignments>> C :: 176.664 CA :: 60.265 CB :: 29.669 CG :: 26.300 CD :: 49.347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.642 HB2 :: 1.828 HB3 :: 2.277 HG2 :: 1.945 HG3 :: 1.978 HD2 :: 3.569 HD3 :: 3.713 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q310 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.474 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.463 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.378 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M311 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.Y163 1.V301 1.Y163 1.V301 C Shift Assignments>> C :: 175.350 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.359 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.779 Ave N Shift Values>> N :: 120.09(3.57) 1.N312 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.897 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.322 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.278 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y313 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.2 E 0.17 F 0.14 N 0.09 M 0.04 I 0.04 D 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 175.019 CA :: 56.356 CB :: 37.487 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.992 HA :: 4.463 HB2 :: 2.819 HB3 :: 2.906 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.987 Ave N Shift Values>> N :: 120.52(4.2) 1.I314 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 175.870 CA :: 59.456 CB :: 37.756 CG1 :: 25.895 CD1 :: 11.878 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.784 HA :: 3.997 HB :: 1.641 HG12 :: 0.954 HG13 :: 0.954 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.330 Ave N Shift Values>> N :: 121.46(4.28) 1.Q315 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 R 0.16 L 0.15 C 0.13 H 0.13 K 0.12 E 0.07 M 0.02 C Shift Assignments>> C :: 175.736 CA :: 54.469 CB :: 28.052 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.282 HA :: 4.183 HB2 :: 1.867 HB3 :: 1.995 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.628 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V316 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.08 A 0.01 HN Overlap>> 1.V337 1.Q279 1.V337 1.Q279 C Shift Assignments>> C :: 176.281 CA :: 58.782 CB :: 32.769 CG1 :: 18.078 CG2 :: 21.043 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.077 HA :: 4.767 HB :: 2.417 HG11 :: 0.827 HG12 :: 0.827 HG13 :: 0.827 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.563 Ave N Shift Values>> N :: 121.14(4.54) 1.T317 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.37 C 0.32 S 0.27 A 0.01 C Shift Assignments>> CA :: 59.186 CB :: 66.880 CG2 :: 20.504 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.958 HA :: 4.655 HB :: 4.723 HG21 :: 1.296 HG22 :: 1.296 HG23 :: 1.296 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.976 Ave N Shift Values>> N :: 115.42(4.75) 1.P318 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 G 0.01 C Shift Assignments>> C :: 178.956 CA :: 64.847 CB :: 30.343 CG :: 26.974 CD :: 49.078 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.165 HB2 :: 1.852 HB3 :: 2.350 HG2 :: 1.954 HG3 :: 2.150 HD2 :: 3.865 HD3 :: 3.865 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q319 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 179.177 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.273 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.846 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E320 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.28 K 0.12 I 0.11 Q 0.1 R 0.01 C Shift Assignments>> C :: 178.088 CA :: 58.108 CB :: 28.187 CG :: 35.734 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.681 HA :: 4.069 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 2.302 HG3 :: 2.653 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.742 Ave N Shift Values>> N :: 120.67(3.48) 1.K321 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 K 0.3 V 0.05 R 0.02 C Shift Assignments>> C :: 178.238 CA :: 58.108 CB :: 30.747 CG :: 23.874 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.542 HA :: 3.689 HB2 :: 1.783 HB3 :: 1.783 HG2 :: 1.345 HG3 :: 1.383 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.436 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E322 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.25 K 0.14 Q 0.14 I 0.09 R 0.01 HN Overlap>> 1.E265 1.E265 C Shift Assignments>> C :: 178.840 CA :: 58.108 CB :: 28.187 CG :: 35.465 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.711 HA :: 3.824 HB2 :: 1.952 HB3 :: 2.062 HG2 :: 2.158 HG3 :: 2.429 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.950 Ave N Shift Values>> N :: 120.67(3.48) 1.A323 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.01 C 0.01 C Shift Assignments>> C :: 178.678 CA :: 54.065 CB :: 17.269 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.204 HA :: 3.812 HB1 :: 1.238 HB2 :: 1.238 HB3 :: 1.238 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.851 Ave N Shift Values>> N :: 123.23(3.54) 1.I324 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.L199 1.L199 C Shift Assignments>> C :: 178.060 CA :: 63.604 CB :: 36.273 CG1 :: 28.456 CG2 :: 15.113 CD1 :: 12.417 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.877 HA :: 3.035 HB :: 1.801 HG12 :: 0.320 HG13 :: 0.892 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 HD11 :: 0.516 HD12 :: 0.516 HD13 :: 0.516 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.414 Ave N Shift Values>> N :: 121.46(4.28) 1.E325 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.28 K 0.19 Q 0.13 M 0.02 HN Overlap>> 1.E164 1.E164 C Shift Assignments>> C :: 179.937 CA :: 57.973 CB :: 27.513 CG :: 32.230 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.304 HA :: 3.938 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 2.417 HG3 :: 2.417 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.947 Ave N Shift Values>> N :: 120.67(3.48) 1.R326 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.26 R 0.19 G 0.01 C Shift Assignments>> C :: 179.506 CA :: 59.321 CB :: 29.939 CG :: 28.995 CD :: 42.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.842 HA :: 3.961 HB2 :: 1.560 HB3 :: 2.203 HG2 :: 1.371 HG3 :: 1.792 HD2 :: 2.951 HD3 :: 3.365 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.634 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L327 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.28 C 0.15 R 0.14 Q 0.05 H 0.03 I 0.02 E 0.01 HN Overlap>> 1.A194 1.A194 1.I304 1.I304 C Shift Assignments>> C :: 179.661 CA :: 56.356 CD1 :: 25.626 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.062 HA :: 4.089 HB2 :: 1.865 HB3 :: 1.966 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.911 HD22 :: 0.911 HD23 :: 0.911 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.610 Ave N Shift Values>> N :: 121.86(3.9) 1.K328 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 K 0.11 C Shift Assignments>> C :: 180.352 CA :: 58.108 CB :: 31.287 CG :: 24.278 CE :: 39.913 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.577 HA :: 4.247 HB2 :: 1.793 HB3 :: 1.979 HG2 :: 1.353 HG3 :: 1.776 HD2 :: 1.518 HD3 :: 1.569 HE2 :: 2.852 HE3 :: 2.963 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.993 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A329 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.43 C 0.01 C Shift Assignments>> C :: 178.355 CA :: 52.582 CB :: 16.326 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.719 HA :: 4.151 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.098 Ave N Shift Values>> N :: 123.23(3.54) 1.L330 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.3 C Shift Assignments>> C :: 176.553 CA :: 54.873 CB :: 40.721 CG :: 25.356 CD2 :: 24.413 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.527 HA :: 4.185 HB2 :: 1.694 HB3 :: 2.384 HG :: 2.055 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.619 Ave N Shift Values>> N :: 121.86(3.9) 1.G331 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.792 CA :: 43.552 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.181 HA2 :: 3.502 HA3 :: 3.911 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.091 Ave N Shift Values>> N :: 109.67(3.87) 1.F332 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.13 F 0.1 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.Y175 1.Y175 C Shift Assignments>> CA :: 54.334 CB :: 40.856 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.194 HA :: 4.899 HB2 :: 2.347 HB3 :: 2.853 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.912 Ave N Shift Values>> N :: 120.45(4.18) 1.P333 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 P 0.39 C Shift Assignments>> C :: 177.164 CA :: 60.938 CB :: 31.152 CG :: 26.434 CD :: 49.752 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.477 HB2 :: 2.430 HB3 :: 2.430 HG2 :: 2.107 HG3 :: 2.107 HD2 :: 3.689 HD3 :: 3.994 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E334 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.18 K 0.07 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.611 CA :: 59.860 CB :: 29.265 CG :: 36.004 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.072 HA :: 3.519 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 1.873 HG3 :: 2.150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.365 Ave N Shift Values>> N :: 120.67(3.48) 1.S335 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.613 CA :: 60.265 CB :: 60.265 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.894 HA :: 3.996 HB2 :: 3.871 HB3 :: 3.871 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.692 Ave N Shift Values>> N :: 116.28(3.52) 1.L336 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.11 H 0.09 Q 0.09 R 0.08 D 0.08 K 0.07 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> C :: 178.561 CA :: 55.682 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.801 HA :: 4.199 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.381 Ave N Shift Values>> N :: 121.86(3.9) 1.V337 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.V316 1.V316 1.Q279 1.Q279 C Shift Assignments>> C :: 176.989 CA :: 65.913 CB :: 29.804 CG1 :: 22.661 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.032 HA :: 3.380 HB :: 2.086 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.557 Ave N Shift Values>> N :: 121.14(4.54) 1.I338 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 177.214 CA :: 64.712 CB :: 36.543 CG1 :: 28.591 CD1 :: 12.282 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.540 HA :: 3.452 HB :: 1.781 HG12 :: 0.990 HG13 :: 1.691 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.527 Ave N Shift Values>> N :: 121.46(4.28) 1.Q339 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 F 0.12 C 0.12 S 0.09 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 178.571 CA :: 58.108 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.278 HA :: 3.961 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A340 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.31 C 0.01 HN Overlap>> 1.E30 1.D362 1.E30 1.D362 C Shift Assignments>> C :: 178.182 CA :: 53.526 CB :: 18.078 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.303 HA :: 3.633 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.086 Ave N Shift Values>> N :: 123.23(3.54) 1.Y341 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.23 Y 0.19 F 0.13 E 0.05 C Shift Assignments>> CA :: 60.669 CB :: 37.621 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.102 HA :: 3.646 HB2 :: 2.638 HB3 :: 2.708 HD1 :: 6.150 HD2 :: 6.150 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.481 Ave N Shift Values>> N :: 120.52(4.2) 1.F342 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 I 0.24 E 0.14 Y 0.14 F 0.08 V 0.02 M 0.02 K 0.01 C Shift Assignments>> C :: 179.224 CA :: 60.265 CB :: 36.678 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.151 HA :: 3.926 HB2 :: 2.947 HB3 :: 3.030 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.082 Ave N Shift Values>> N :: 120.45(4.18) 1.A343 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.48 C 0.01 I 0.01 C Shift Assignments>> C :: 178.921 CA :: 53.660 CB :: 17.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.298 HA :: 4.141 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.184 Ave N Shift Values>> N :: 123.23(3.54) 1.C344 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 L 0.19 C 0.19 R 0.16 I 0.06 Q 0.05 H 0.03 E 0.01 HN Overlap>> 1.N285 1.N285 C Shift Assignments>> C :: 173.388 CA :: 57.569 CB :: 25.761 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.324 HA :: 4.389 HB2 :: 2.583 HB3 :: 2.975 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.821 Ave N Shift Values>> N :: 120.17(4.64) 1.E345 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 K 0.3 C 0.14 R 0.1 Q 0.03 H 0.02 I 0.01 C Shift Assignments>> C :: 174.754 CA :: 55.682 CB :: 25.356 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.619 HA :: 3.634 HB2 :: 1.921 HB3 :: 2.011 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.090 Ave N Shift Values>> N :: 120.67(3.48) 1.K346 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.67 C 0.3 C Shift Assignments>> C :: 173.600 CA :: 55.547 CB :: 26.704(S) CG :: 23.874 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.014 HA :: 1.508(S) HB2 :: 1.329 HB3 :: 1.728 HG2 :: 0.135(S) HG3 :: 0.735 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 109.553 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HB3 : 0.9998) 1.N347 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.72 C 0.13 D 0.05 Y 0.02 F 0.02 M 0.01 C Shift Assignments>> C :: 174.878 CA :: 50.560 CB :: 37.756 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.903 HA :: 4.727 HB2 :: 2.554 HB3 :: 3.104 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.896 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E348 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.22 E 0.12 I 0.03 M 0.03 R 0.01 C Shift Assignments>> C :: 176.563 CA :: 59.186 CB :: 29.400 CG :: 34.252 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.962 HA :: 3.750 HB2 :: 2.010 HB3 :: 2.153 HG2 :: 2.164 HG3 :: 2.164 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.495 Ave N Shift Values>> N :: 120.67(3.48) 1.N349 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.2 E 0.19 Y 0.13 F 0.09 M 0.07 D 0.02 I 0.01 K 0.01 HN Overlap>> 1.T159 1.T159 C Shift Assignments>> C :: 176.033 CA :: 55.143 CB :: 37.082 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.309 HA :: 4.423 HB2 :: 2.753 HB3 :: 2.821 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L350 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.2 Y 0.19 L 0.15 C 0.09 N 0.06 K 0.04 I 0.02 C Shift Assignments>> C :: 179.545 CA :: 56.221 CB :: 40.317 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.919 HA :: 4.075 HB2 :: 1.557 HB3 :: 1.660 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.636 Ave N Shift Values>> N :: 121.86(3.9) 1.A351 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.4 I 0.01 C 0.01 C Shift Assignments>> C :: 178.572 CA :: 53.924 CB :: 16.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.602 HA :: 4.265 HB1 :: 1.315 HB2 :: 1.315 HB3 :: 1.315 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.672 Ave N Shift Values>> N :: 123.23(3.54) 1.A352 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.28 I 0.02 C 0.01 C Shift Assignments>> C :: 178.513 CA :: 54.469 CB :: 16.461 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.404 HA :: 3.739 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.499 Ave N Shift Values>> N :: 123.23(3.54) 1.N353 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 C 0.21 E 0.17 Y 0.14 F 0.09 M 0.07 D 0.03 I 0.01 K 0.01 L 0.01 C Shift Assignments>> CA :: 55.143 CB :: 37.217 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.617 HA :: 4.278 HB2 :: 2.747 HB3 :: 2.827 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.876 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F354 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 Y 0.24 C 0.2 F 0.19 E 0.03 HN Overlap>> 1.E307 1.E307 C Shift Assignments>> C :: 178.035 CA :: 59.860 CB :: 38.160 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.401 HA :: 4.045 HB2 :: 3.093 HB3 :: 3.214 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.244 Ave N Shift Values>> N :: 120.45(4.18) 1.L355 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 A 0.23 L 0.07 HN Overlap>> 1.F280 1.F280 C Shift Assignments>> C :: 178.180 CA :: 56.356 CB :: 39.104 CG :: 25.491 CD1 :: 20.908 CD2 :: 25.761 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.382 HA :: 3.436 HB2 :: -0.119(S) HB3 :: 1.366 HG :: 1.554 HD11 :: 0.346 HD12 :: 0.346 HD13 :: 0.346 HD21 :: 0.519 HD22 :: 0.519 HD23 :: 0.519 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.306 Ave N Shift Values>> N :: 121.86(3.9) 1.L356 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.32 HN Overlap>> 1.S205 1.S205 1.T165 1.T165 C Shift Assignments>> C :: 178.140 CA :: 55.547 CB :: 40.721 CG :: 26.987 CD1 :: 23.874 CD2 :: 24.413 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.126 HA :: 4.165 HB2 :: 1.572 HB3 :: 1.809 HG :: 1.071 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 1.064 HD22 :: 1.064 HD23 :: 1.064 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.538 Ave N Shift Values>> N :: 121.86(3.9) 1.S357 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 F 0.12 C 0.12 S 0.09 E 0.09 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> C :: 174.153 CA :: 58.108 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.598 HA :: 4.286 HB2 :: 3.799 HB3 :: 3.799 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.026 Ave N Shift Values>> N :: 116.28(3.52) 1.Q358 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.25 C 0.17 K 0.15 H 0.14 R 0.13 Q 0.07 E 0.05 C Shift Assignments>> C :: 174.646 CA :: 54.065 CG :: 32.230 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.363 HA :: 3.964 HB2 :: 1.624 HB3 :: 1.624 HG2 :: 1.833 HG3 :: 1.958 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.573 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N359 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 HN Overlap>> 1.M283 1.M283 C Shift Assignments>> C :: 174.371 CA :: 51.504 CB :: 37.891 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.044 HA :: 4.628 HB2 :: 2.530 HB3 :: 2.680 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.694 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F360 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.19 F 0.19 N 0.12 E 0.07 D 0.06 I 0.04 L 0.03 M 0.02 HN Overlap>> 1.L262 1.L262 1.D361 1.D361 C Shift Assignments>> C :: 175.841 CA :: 56.221 CB :: 38.160 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.299 HA :: 4.595 HB2 :: 2.871 HB3 :: 3.184 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.409 Ave N Shift Values>> N :: 120.45(4.18) 1.D361 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.25 L 0.08 C 0.07 F 0.07 Y 0.06 HN Overlap>> 1.F360 1.F360 C Shift Assignments>> C :: 175.435 CA :: 52.986 CB :: 39.508 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.325 HA :: 4.548 HB2 :: 2.533 HB3 :: 2.622 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.427 Ave N Shift Values>> N :: 120.65(3.86) 1.D362 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.A340 1.A340 C Shift Assignments>> C :: 175.010 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.230 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.045 Ave N Shift Values>> N :: 120.65(3.86) 1.E363 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.898 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.765 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 358 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 275 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 87 Shift Relative Order (SRO) Results: #Consistent: 362 #Suspicious: 1 C Shift Results: #Consistent:1049 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1681 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 317 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L7 HB2 = 0.090(S), Expected = 1.61, Std = 0.3400, ChiSquare = 7.8005e-06 1.K36 Typing: Mistyped 1.K36 CD = 25.087(S), Expected = 28.96, Std = 1.0800, ChiSquare = 3.3565e-04 1.K36 HG2 = -0.181(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.4406e-09 1.K36 HD2 = 0.760(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.1171e-04 1.K36 HD3 = 0.844(S), Expected = 1.60, Std = 0.2200, ChiSquare = 5.8958e-04 1.K36 HE2 = 1.587(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.2865e-12 1.K36 HE3 = 1.901(S), Expected = 2.91, Std = 0.2000, ChiSquare = 4.5352e-07 1.L55 CD1 = 19.021(S), Expected = 24.72, Std = 1.5900, ChiSquare = 3.3801e-04 1.L55 HD11 = -0.227(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8431e-04 1.L55 HD12 = -0.227(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8431e-04 1.L55 HD13 = -0.227(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.8431e-04 1.K346 CB = 26.704(S), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2828e-04 1.K346 HA = 1.508(S), Expected = 4.27, Std = 0.4400, ChiSquare = 3.4456e-10 1.K346 HG2 = 0.135(S), Expected = 1.37, Std = 0.2600, ChiSquare = 2.0342e-06 1.K346 SRO Rule Break>> HA > HB3 : 0.999793899422918 1.L355 HB2 = -0.119(S), Expected = 1.61, Std = 0.3400, ChiSquare = 3.6706e-07