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.N2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.669 CA :: 52.950 CB :: 19.368 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.393 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 178.028 CA :: 52.760 CB :: 19.272 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.335 HA :: 4.450 HB1 :: 1.511 HB2 :: 1.511 HB3 :: 1.511 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.121 Ave N Shift Values>> N :: 123.23(3.54) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.271 CA :: 58.750 CB :: 64.074 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.260 HA :: 4.546 HB2 :: 4.003 HB3 :: 4.003 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 :: 114.828 Ave N Shift Values>> N :: 116.28(3.52) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.231 CA :: 45.623 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.424 HA2 :: 4.102 HA3 :: 4.102 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.677 Ave N Shift Values>> N :: 109.67(3.87) 1.T7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.165 CA :: 62.064 CB :: 70.012 CG2 :: 21.631 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 :: 8.014 HA :: 4.405 HB :: 4.218 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 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 :: 113.811 Ave N Shift Values>> N :: 115.42(4.75) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 175.210 CA :: 57.852 CB :: 39.826 CD1 :: 131.968 CE1 :: 131.628 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 :: 8.320 HA :: 4.758 HB2 :: 3.140 HB3 :: 3.200 HD1 :: 7.330 HD2 :: 7.330 HE1 :: 7.413 HE2 :: 7.413 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 :: 122.903 Ave N Shift Values>> N :: 120.45(4.18) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 175.756 CA :: 60.955 CB :: 38.988 CG1 :: 27.303 CG2 :: 17.697 CD1 :: 13.046 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 :: 8.127 HA :: 4.241 HB :: 1.885 HG12 :: 1.516 HG13 :: 1.200 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 HD11 :: 0.907 HD12 :: 0.907 HD13 :: 0.907 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 :: 123.461 Ave N Shift Values>> N :: 121.46(4.28) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.378 CA :: 58.406 CB :: 64.345 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.390 HA :: 4.521 HB2 :: 4.006 HB3 :: 3.922 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 :: 119.892 Ave N Shift Values>> N :: 116.28(3.52) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.11 Y 0.08 N 0.08 R 0.01 C Shift Assignments>> C :: 176.393 CA :: 54.728 CB :: 41.234 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 :: 8.472 HA :: 4.707 HB2 :: 2.806 HB3 :: 2.806 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 :: 122.881 Ave N Shift Values>> N :: 120.65(3.86) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 L 0.01 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 177.977 CA :: 53.680 CB :: 19.486 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.206 HA :: 4.268 HB1 :: 1.466 HB2 :: 1.466 HB3 :: 1.466 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.420 Ave N Shift Values>> N :: 123.23(3.54) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.22 K 0.18 F 0.16 Y 0.12 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 177.074 CA :: 55.928 CB :: 41.266 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 :: 8.243 HA :: 4.504 HB2 :: 2.732 HB3 :: 2.732 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 :: 117.996 Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.14 F 0.12 Y 0.09 N 0.07 R 0.01 C Shift Assignments>> C :: 177.093 CA :: 55.084 CB :: 41.195 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 :: 8.100 HA :: 4.656 HB2 :: 2.828 HB3 :: 2.828 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 :: 120.315 Ave N Shift Values>> N :: 120.65(3.86) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.669 CA :: 65.363 CB :: 32.242 CG1 :: 22.027 CG2 :: 21.039 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 :: 8.052 HA :: 3.849 HB :: 2.196 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 121.112 Ave N Shift Values>> N :: 121.14(4.54) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V103 1.V103 C Shift Assignments>> C :: 177.577 CA :: 66.150 CB :: 30.780 CG1 :: 22.697 CG2 :: 21.063 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 :: 7.979 HA :: 3.285 HB :: 1.969 HG11 :: 0.479 HG12 :: 0.479 HG13 :: 0.479 HG21 :: 0.395 HG22 :: 0.395 HG23 :: 0.395 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 :: 120.543 Ave N Shift Values>> N :: 121.14(4.54) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.150 CA :: 62.159 CB :: 62.543 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.153 HA :: 4.108 HB2 :: 3.988 HB3 :: 3.988 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 :: 114.633 Ave N Shift Values>> N :: 116.28(3.52) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 I 0.02 C Shift Assignments>> C :: 180.375 CA :: 55.006 CB :: 18.544 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.952 HA :: 4.212 HB1 :: 1.530 HB2 :: 1.530 HB3 :: 1.530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.017 Ave N Shift Values>> N :: 123.23(3.54) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 A 0.04 C Shift Assignments>> C :: 178.346 CA :: 57.411 CB :: 31.752 CG :: 32.319 CE :: 16.836 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 :: 8.055 HA :: 4.408 HB2 :: 2.271 HB3 :: 2.223 HG2 :: 2.446 HG3 :: 2.323 HE1 :: 1.805 HE2 :: 1.805 HE3 :: 1.805 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 :: 117.922 Ave N Shift Values>> N :: 120.09(3.57) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.178 CA :: 65.533 CB :: 37.365 CG1 :: 29.571 CG2 :: 17.721 CD1 :: 13.539 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 :: 8.219 HA :: 3.670 HB :: 2.124 HG12 :: 1.935 HG13 :: 1.238 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 121.004 Ave N Shift Values>> N :: 121.46(4.28) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.289 CA :: 67.328 CB :: 31.745 CG1 :: 23.105 CG2 :: 21.372 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 :: 7.910 HA :: 3.904 HB :: 2.281 HG11 :: 1.214 HG12 :: 1.214 HG13 :: 1.214 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 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 :: 119.716 Ave N Shift Values>> N :: 121.14(4.54) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.31 G 0.02 HN Overlap>> 1.Y119 1.Y119 C Shift Assignments>> C :: 180.669 CA :: 59.698 CB :: 32.294 CG :: 25.931 CD :: 29.077 CE :: 42.312 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 :: 8.155 HA :: 4.256 HB2 :: 2.190 HB3 :: 2.024 HG2 :: 1.826 HG3 :: 1.699 HD2 :: 1.830 HD3 :: 1.783 HE2 :: 3.047 HE3 :: 3.047 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 :: 118.768 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 I 0.04 C Shift Assignments>> C :: 180.138 CA :: 60.978 CB :: 34.041 CG :: 33.139 CE :: 14.258 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 :: 8.980 HA :: 4.371 HB2 :: 2.339 HB3 :: 2.082 HG2 :: 1.724 HG3 :: 2.799 HE1 :: 0.606 HE2 :: 0.606 HE3 :: 0.606 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 :: 119.876 Ave N Shift Values>> N :: 120.09(3.57) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 I 0.08 N 0.08 E 0.07 D 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 178.673 CA :: 56.893 CB :: 38.298 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 :: 8.657 HA :: 4.827 HB2 :: 3.172 HB3 :: 2.993 HD21 :: 7.522 HD22 :: 6.810 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 :: 122.408 ND2 :: 111.148 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.35 M 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.048 CA :: 59.826 CB :: 30.122 CG :: 36.981 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 :: 8.963 HA :: 4.226 HB2 :: 2.216 HB3 :: 2.315 HG2 :: 2.331 HG3 :: 2.680 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 :: 121.949 Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.47 I 0.03 C Shift Assignments>> C :: 179.198 CA :: 55.083 CB :: 18.529 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.462 HA :: 4.236 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.611 Ave N Shift Values>> N :: 123.23(3.54) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 180.623 CA :: 54.790 CB :: 18.012 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.927 HA :: 3.990 HB1 :: 1.729 HB2 :: 1.729 HB3 :: 1.729 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.647 Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 K 0.19 Q 0.15 I 0.15 M 0.03 C Shift Assignments>> C :: 178.891 CA :: 59.220 CB :: 29.350 CG :: 35.530 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 :: 7.996 HA :: 4.265 HB2 :: 2.299 HB3 :: 2.206 HG2 :: 2.528 HG3 :: 2.408 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 :: 119.884 Ave N Shift Values>> N :: 120.67(3.48) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.41 K 0.04 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.599 CA :: 60.066 CB :: 29.855 CG :: 36.909 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 :: 8.845 HA :: 4.124 HB2 :: 2.267 HB3 :: 2.036 HG2 :: 2.593 HG3 :: 2.347 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 :: 121.186 Ave N Shift Values>> N :: 120.67(3.48) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.15 L 0.15 K 0.06 I 0.04 N 0.03 C Shift Assignments>> C :: 178.986 CA :: 57.027 CB :: 40.426 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 :: 8.143 HA :: 4.880 HB2 :: 2.698 HB3 :: 2.403 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 :: 118.082 Ave N Shift Values>> N :: 120.65(3.86) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 R 0.39 I 0.06 K 0.02 C Shift Assignments>> C :: 178.314 CA :: 61.547 CB :: 30.279 CD :: 43.775 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 :: 7.702 HA :: 3.816 HB2 :: 2.302 HB3 :: 1.936 HG2 :: 1.536 HG3 :: 1.536 HD2 :: 3.398 HD3 :: 3.398 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 :: 120.122 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.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.34 R 0.17 E 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 179.672 CA :: 58.992 CB :: 27.918 CG :: 33.534 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 :: 7.869 HA :: 4.241 HB2 :: 2.365 HB3 :: 2.297 HG2 :: 2.700 HG3 :: 2.599 HE21 :: 7.816 HE22 :: 6.911 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 :: 118.155 NE2 :: 112.595 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 179.505 CA :: 58.654 CB :: 40.925 CG :: 27.553 CD1 :: 25.804 CD2 :: 23.084 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 :: 8.762 HA :: 4.064 HB2 :: 2.002 HB3 :: 1.466 HG :: 1.972 HD11 :: 1.293 HD12 :: 1.293 HD13 :: 1.293 HD21 :: 0.996 HD22 :: 0.996 HD23 :: 0.996 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 :: 121.608 Ave N Shift Values>> N :: 121.86(3.9) 1.N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.23 Y 0.17 L 0.14 R 0.06 D 0.06 I 0.04 C Shift Assignments>> C :: 179.905 CA :: 58.267 CB :: 41.716 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 :: 8.632 HA :: 4.628 HB2 :: 2.975 HB3 :: 2.796 HD21 :: 7.117 HD22 :: 7.893 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 :: 119.234 ND2 :: 111.319 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 N 0.16 D 0.14 L 0.07 I 0.04 E 0.02 M 0.01 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 176.917 CA :: 56.031 CB :: 38.819 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 :: 8.357 HA :: 4.721 HB2 :: 3.167 HB3 :: 3.021 HD21 :: 7.510 HD22 :: 7.003 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 :: 119.300 ND2 :: 111.666 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.28 E 0.17 M 0.11 R 0.01 C Shift Assignments>> C :: 174.573 CA :: 55.746 CB :: 29.710 CG :: 34.328 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 :: 7.724 HA :: 4.449 HB2 :: 2.168 HB3 :: 2.473 HG2 :: 2.534 HG3 :: 2.717 HE21 :: 7.291 HE22 :: 6.926 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 :: 117.679 NE2 :: 110.879 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 R 0.34 K 0.19 G 0.03 C Shift Assignments>> C :: 175.694 CA :: 57.246 CB :: 28.717 CG :: 25.217 CE :: 42.576 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 :: 8.182 HA :: 4.082 HB2 :: 2.254 HB3 :: 2.080 HG2 :: 1.499 HG3 :: 1.499 HE2 :: 3.149 HE3 :: 3.149 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 :: 115.683 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.34 G 0.07 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> C :: 173.986 CA :: 53.317 CB :: 34.201 CG :: 25.338 CD :: 29.464 CE :: 42.786 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 :: 8.169 HA :: 4.844 HB2 :: 1.595 HB3 :: 1.952 HG2 :: 1.581 HG3 :: 1.500 HD2 :: 1.824 HD3 :: 1.744 HE2 :: 3.013 HE3 :: 3.013 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 :: 119.686 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.846 CA :: 63.817 CB :: 31.840 CG :: 28.026 CD :: 50.472 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 :: 4.235 HB2 :: 2.338 HB3 :: 1.864 HG2 :: 2.074 HG3 :: 2.225 HD2 :: 3.941 HD3 :: 3.650 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.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C Shift Assignments>> C :: 176.549 CA :: 51.549 CB :: 19.102 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.372 HA :: 4.648 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.678 Ave N Shift Values>> N :: 123.23(3.54) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 G 0.18 R 0.09 A 0.02 C Shift Assignments>> C :: 178.872 CA :: 54.858 CB :: 43.764 CG :: 27.043 CD1 :: 23.650 CD2 :: 25.433 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 :: 7.672 HA :: 4.879 HB2 :: 1.845 HB3 :: 1.676 HG :: 1.534 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 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 :: 121.868 Ave N Shift Values>> N :: 121.86(3.9) 1.K42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.66 K 0.3 G 0.01 C Shift Assignments>> C :: 181.144 CA :: 58.926 CB :: 30.375 CG :: 24.007 CD :: 27.274 CE :: 42.185 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 :: 11.583(S) HA :: 4.045 HB2 :: 2.178 HB3 :: 1.820 HG2 :: 1.675 HG3 :: 1.675 HD2 :: 1.701 HD3 :: 1.664 HE2 :: 3.078 HE3 :: 3.078 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 :: 128.708 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.22 I 0.21 E 0.15 Q 0.11 H 0.11 R 0.1 V 0.02 M 0.01 K 0.01 C Shift Assignments>> C :: 178.480 CA :: 59.781 CB :: 29.023 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 :: 9.093 HA :: 3.461 HB2 :: 1.572 HB3 :: -0.289(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 :: 120.834 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.03 C Shift Assignments>> C :: 179.056 CA :: 58.212 CB :: 42.613 CG :: 27.283 CD1 :: 25.374 CD2 :: 24.519 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 :: 8.416 HA :: 3.876 HB2 :: 1.591 HB3 :: 1.737 HG :: 1.719 HD11 :: 1.030 HD12 :: 1.030 HD13 :: 1.030 HD21 :: 1.046 HD22 :: 1.046 HD23 :: 1.046 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 :: 118.722 Ave N Shift Values>> N :: 121.86(3.9) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.S102 1.S102 C Shift Assignments>> C :: 175.419 CA :: 66.469 CB :: 69.345 CG2 :: 21.335 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 :: 8.065 HA :: 4.063 HB :: 4.386 HG21 :: 1.419 HG22 :: 1.419 HG23 :: 1.419 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 :: 113.143 Ave N Shift Values>> N :: 115.42(4.75) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.22 R 0.17 C Shift Assignments>> C :: 176.675 CA :: 55.160 CB :: 43.993 CG :: 27.249 CD1 :: 26.348 CD2 :: 24.105 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 :: 7.538 HA :: 4.659 HB2 :: 1.937 HB3 :: 2.221 HG :: 2.243 HD11 :: 1.113 HD12 :: 1.113 HD13 :: 1.113 HD21 :: 1.186 HD22 :: 1.186 HD23 :: 1.186 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 :: 122.462 Ave N Shift Values>> N :: 121.86(3.9) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 K 0.16 C Shift Assignments>> C :: 173.164 CA :: 60.142 CB :: 39.939 CD1 :: 26.875 CD2 :: 24.151 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 :: 8.219 HA :: 4.529 HB2 :: 2.429 HB3 :: 2.008 HD11 :: 1.053 HD12 :: 1.053 HD13 :: 1.053 HD21 :: 1.203 HD22 :: 1.203 HD23 :: 1.203 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 :: 120.790 Ave N Shift Values>> N :: 121.86(3.9) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.639 CA :: 66.671 CB :: 30.788 CG :: 28.852 CD :: 50.002 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 :: 4.410 HB2 :: 2.462 HB3 :: 2.025 HG2 :: 2.296 HG3 :: 2.140 HD2 :: 3.845 HD3 :: 3.910 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.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.47 I 0.03 C Shift Assignments>> C :: 180.508 CA :: 55.202 CB :: 18.604 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.745 HA :: 4.428 HB1 :: 1.718 HB2 :: 1.718 HB3 :: 1.718 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.696 Ave N Shift Values>> N :: 123.23(3.54) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.543 CA :: 67.015 CB :: 32.092 CG1 :: 23.050 CG2 :: 20.269 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 :: 7.978 HA :: 3.618 HB :: 2.405 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.573 HG22 :: 0.573 HG23 :: 0.573 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 :: 121.474 Ave N Shift Values>> N :: 121.14(4.54) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.029 CA :: 67.154 CB :: 31.945 CG1 :: 22.825 CG2 :: 21.407 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 :: 8.493 HA :: 3.404 HB :: 2.132 HG11 :: 1.082 HG12 :: 1.082 HG13 :: 1.082 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 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 :: 118.113 Ave N Shift Values>> N :: 121.14(4.54) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> C :: 179.029 CA :: 58.916 CB :: 32.858 CG :: 31.819 CE :: 17.072 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 :: 7.673 HA :: 4.073 HB2 :: 2.285 HB3 :: 2.138 HG2 :: 2.622 HG3 :: 2.440 HE1 :: 2.058 HE2 :: 2.058 HE3 :: 2.058 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 :: 115.036 Ave N Shift Values>> N :: 120.09(3.57) 1.H53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.74 H 0.25 C Shift Assignments>> C :: 177.328 CA :: 61.413 CB :: 30.066 CE1 :: 138.955 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 :: 7.903 HA :: 4.356 HB2 :: 3.129 HB3 :: 3.254 HD2 :: 6.940 HE1 :: 7.330 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 :: 115.578 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 A 0.03 C Shift Assignments>> C :: 176.617 CA :: 56.602 CB :: 41.389 CG :: 27.591 CD1 :: 25.493 CD2 :: 22.614 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 :: 8.214 HA :: 3.950 HB2 :: 1.697 HB3 :: 1.391 HG :: 1.318 HD11 :: 0.466 HD12 :: 0.466 HD13 :: 0.466 HD21 :: 0.146 HD22 :: 0.146 HD23 :: 0.146 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 :: 117.791 Ave N Shift Values>> N :: 121.86(3.9) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.752 CA :: 56.816 CB :: 33.199 CG :: 25.912 CD :: 29.422 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 :: 7.225 HA :: 4.282 HB2 :: 2.042 HB3 :: 1.834 HG2 :: 1.718 HG3 :: 1.545 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 3.026 HE3 :: 3.026 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 :: 113.635 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.33 G 0.02 C Shift Assignments>> C :: 177.863 CA :: 57.044 CB :: 31.736 CG :: 25.271 CD :: 29.759 CE :: 42.449 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 :: 7.429 HA :: 4.380 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 1.878 HG3 :: 1.644 HD2 :: 1.881 HD3 :: 1.881 HE2 :: 3.037 HE3 :: 3.037 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 :: 120.790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> W 0.18 I 0.16 K 0.15 E 0.13 Q 0.12 H 0.1 R 0.08 M 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 177.440 CA :: 59.297 CB :: 28.698 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) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.2 Y 0.18 N 0.15 L 0.14 I 0.02 K 0.01 C Shift Assignments>> C :: 177.004 CA :: 55.486 CB :: 39.898 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 :: 9.047 HA :: 4.614 HB2 :: 2.876 HB3 :: 2.788 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 :: 114.309 Ave N Shift Values>> N :: 120.65(3.86) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.16 G 0.1 A 0.06 C Shift Assignments>> C :: 177.922 CA :: 54.959 CB :: 43.386 CG :: 26.900 CD1 :: 26.140 CD2 :: 22.685 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 :: 7.699 HA :: 4.716 HB2 :: 1.783 HB3 :: 2.200 HG :: 1.785 HD11 :: 1.185 HD12 :: 1.185 HD13 :: 1.185 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 117.256 Ave N Shift Values>> N :: 121.86(3.9) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.065 CA :: 62.072 CB :: 33.807 CG :: 26.053 CD :: 30.799 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 :: 7.499 HA :: 4.129 HB2 :: 2.086 HB3 :: 1.849 HG2 :: 1.925 HG3 :: 1.608 HD2 :: 1.934 HD3 :: 1.934 HE2 :: 3.166 HE3 :: 2.929 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 :: 119.885 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 E 0.4 K 0.04 C Shift Assignments>> C :: 178.466 CA :: 60.127 CB :: 29.235 CG :: 36.976 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 :: 8.790 HA :: 4.127 HB2 :: 2.217 HB3 :: 2.162 HG2 :: 2.480 HG3 :: 2.430 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 :: 117.081 Ave N Shift Values>> N :: 120.67(3.48) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.452 CA :: 66.126 CB :: 68.460 CG2 :: 22.447 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 :: 7.949 HA :: 4.193 HB :: 4.156 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 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 :: 116.280 Ave N Shift Values>> N :: 115.42(4.75) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 F 0.39 C Shift Assignments>> C :: 178.559 CA :: 63.207 CB :: 38.184 CD1 :: 132.748 CE1 :: 131.692 CZ :: 128.778 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 :: 8.807 HA :: 4.134 HB2 :: 3.433 HB3 :: 2.949 HD1 :: 7.309 HD2 :: 7.309 HE1 :: 7.329 HE2 :: 7.329 HZ :: 7.081 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 :: 122.379 Ave N Shift Values>> N :: 120.45(4.18) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 179.411 CA :: 64.904 CB :: 37.427 CG1 :: 28.483 CG2 :: 18.177 CD1 :: 13.296 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 :: 8.157 HA :: 3.908 HB :: 2.302 HG12 :: 1.825 HG13 :: 1.351 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 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 :: 119.676 Ave N Shift Values>> N :: 121.46(4.28) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.2 F 0.19 Y 0.15 D 0.15 R 0.02 I 0.02 N 0.01 C Shift Assignments>> C :: 177.569 CA :: 56.785 CB :: 41.303 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 :: 8.584 HA :: 4.666 HB2 :: 2.880 HB3 :: 2.880 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 :: 122.607 Ave N Shift Values>> N :: 120.65(3.86) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.341 CB :: 64.028 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.926 HA :: 4.648 HB2 :: 4.095 HB3 :: 3.801 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 :: 112.495 Ave N Shift Values>> N :: 116.28(3.52) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 177.560 CA :: 46.409 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.572 HA3 :: 4.345 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.307 CA :: 65.268 CB :: 31.253 CG1 :: 20.264 CG2 :: 23.239 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 :: 8.463 HA :: 3.969 HB :: 2.343 HG11 :: 0.880 HG12 :: 0.880 HG13 :: 0.880 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 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 :: 122.083 Ave N Shift Values>> N :: 121.14(4.54) 1.M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.16 I 0.09 C Shift Assignments>> C :: 178.874 CA :: 58.055 CB :: 30.914 CG :: 34.198 CE :: 18.818 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 :: 9.287 HA :: 4.325 HG2 :: 2.778 HG3 :: 2.536 HE1 :: 2.065 HE2 :: 2.065 HE3 :: 2.065 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 :: 119.701 Ave N Shift Values>> N :: 120.09(3.57) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.508 CA :: 62.189 CB :: 62.801 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.640 HA :: 4.456 HB2 :: 4.166 HB3 :: 4.166 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 :: 115.315 Ave N Shift Values>> N :: 116.28(3.52) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.46 I 0.04 V 0.01 C Shift Assignments>> C :: 179.882 CA :: 55.483 CB :: 18.889 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.243 HA :: 4.396 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.155 Ave N Shift Values>> N :: 123.23(3.54) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.H110 1.H110 C Shift Assignments>> C :: 177.433 CA :: 66.357 CB :: 37.594 CG1 :: 29.899 CG2 :: 18.104 CD1 :: 13.370 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 :: 8.612 HA :: 3.333 HB :: 1.925 HG12 :: 1.892 HG13 :: 0.547 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 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 :: 117.895 Ave N Shift Values>> N :: 121.46(4.28) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.I113 1.I113 1.V103 1.V103 C Shift Assignments>> C :: 179.694 CA :: 61.020 CB :: 30.146 CG :: 23.647 CD :: 29.267 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 :: 8.065 HA :: 3.678 HB2 :: 2.455 HB3 :: 1.900 HG2 :: 1.796 HG3 :: 1.362 HD2 :: 1.743 HD3 :: 1.719 HE2 :: 3.170 HE3 :: 3.170 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 :: 120.669 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.14 K 0.13 I 0.13 Q 0.11 H 0.1 R 0.1 V 0.02 M 0.02 C Shift Assignments>> C :: 179.637 CA :: 59.494 CB :: 29.257 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 :: 8.067 HA :: 4.240 HB2 :: 2.634 HB3 :: 2.329 HG2 :: 2.769 HG3 :: 2.769 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 :: 119.449 Ave N Shift Values>> N :: 120.67(3.48) 1.W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 175.173 CA :: 62.205 CB :: 29.197 CD1 :: 125.553 CE3 :: 120.744 CZ2 :: 112.572 CZ3 :: 121.439 CH2 :: 126.545 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.362 HA :: 4.191 HB2 :: 3.138 HB3 :: 3.303 HD1 :: 7.390 HE1 :: 10.801 HE3 :: 7.606 HZ2 :: 7.505 HZ3 :: 7.031 HH2 :: 7.360 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.453 NE1 :: 129.879 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.06 A 0.06 G 0.05 C Shift Assignments>> C :: 176.589 CA :: 54.504 CB :: 42.807 CG :: 25.849 CD1 :: 26.116 CD2 :: 23.087 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 :: 7.650 HA :: 4.420 HB2 :: 1.787 HB3 :: 1.787 HG :: 2.003 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 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 :: 112.583 Ave N Shift Values>> N :: 121.86(3.9) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 180.182 CA :: 58.565 CB :: 63.442 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.291 HA :: 4.676 HB2 :: 4.077 HB3 :: 3.997 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 :: 115.467 Ave N Shift Values>> N :: 116.28(3.52) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.605 CA :: 62.963 CB :: 32.242 CG :: 27.683 CD :: 49.806 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 :: 4.673 HB2 :: 2.188 HB3 :: 1.938 HG2 :: 2.348 HG3 :: 1.820 HD2 :: 3.316 HD3 :: 3.629 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.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 A 0.22 C Shift Assignments>> C :: 177.314 CA :: 53.582 CB :: 39.065 CG :: 28.986 CD1 :: 24.609 CD2 :: 23.553 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 :: 8.859 HA :: 4.475 HB2 :: 1.924 HB3 :: 1.616 HG :: 1.875 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 124.754 Ave N Shift Values>> N :: 121.86(3.9) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.767 CA :: 66.339 CB :: 31.796 CG :: 27.914 CD :: 50.895 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 :: 4.395 HB2 :: 2.245 HB3 :: 2.586 HG2 :: 2.535 HG3 :: 2.129 HD2 :: 3.909 HD3 :: 3.748 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.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.29 L 0.11 F 0.1 Y 0.09 C Shift Assignments>> C :: 177.024 CA :: 53.739 CB :: 39.656 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 :: 7.696 HA :: 4.606 HB2 :: 3.217 HB3 :: 2.754 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 :: 114.867 Ave N Shift Values>> N :: 120.65(3.86) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.27 G 0.21 K 0.08 C Shift Assignments>> C :: 175.906 CA :: 58.827 CB :: 27.187 CG :: 27.940 CD :: 43.417 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 :: 8.663 HA :: 3.856 HB2 :: 2.576 HB3 :: 2.274 HG2 :: 1.793 HG3 :: 1.793 HD2 :: 3.366 HD3 :: 3.366 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 :: 111.987 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.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y121 1.Y121 C Shift Assignments>> C :: 173.558 CA :: 59.074 CB :: 64.103 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.515 HA :: 4.436 HB2 :: 4.012 HB3 :: 4.012 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 :: 117.515 Ave N Shift Values>> N :: 116.28(3.52) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 A 0.27 G 0.03 HN Overlap>> 1.N35 1.N35 C Shift Assignments>> C :: 175.818 CA :: 52.957 CB :: 42.392 CG :: 26.639 CD1 :: 22.205 CD2 :: 23.775 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 :: 8.414 HA :: 4.537 HB2 :: 1.714 HB3 :: 1.196 HG :: 1.549 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.272 HD22 :: 0.272 HD23 :: 0.272 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 :: 119.271 Ave N Shift Values>> N :: 121.86(3.9) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.201 CB :: 32.984 CG :: 27.759 CD :: 49.816 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 :: 4.643 HB2 :: 2.430 HB3 :: 1.898 HG2 :: 2.352 HG3 :: 1.826 HD2 :: 3.631 HD3 :: 3.316 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.A86 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.L148 1.L148 1.W75 1.W75 C Shift Assignments>> C :: 178.292 CA :: 53.068 CB :: 19.315 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.315 HA :: 4.203 HB1 :: 1.634 HB2 :: 1.634 HB3 :: 1.634 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 123.23(3.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 G 0.01 C Shift Assignments>> C :: 178.209 CA :: 59.433 CB :: 41.849 CG :: 27.124 CD1 :: 23.675 CD2 :: 25.800 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 :: 8.634 HA :: 4.002 HB2 :: 1.940 HB3 :: 1.772 HG :: 1.652 HD11 :: 1.118 HD12 :: 1.118 HD13 :: 1.118 HD21 :: 1.072 HD22 :: 1.072 HD23 :: 1.072 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 :: 125.133 Ave N Shift Values>> N :: 121.86(3.9) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 C Shift Assignments>> C :: 178.910 CA :: 59.077 CB :: 33.058 CG :: 24.880 CD :: 28.866 CE :: 42.141 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 :: 8.766 HA :: 4.264 HB2 :: 1.947 HB3 :: 1.667 HG2 :: 1.664 HG3 :: 1.597 HD2 :: 1.898 HD3 :: 1.831 HE2 :: 3.103 HE3 :: 3.103 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 :: 116.021 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.600 CA :: 65.240 CB :: 37.771 CG1 :: 30.111 CG2 :: 18.474 CD1 :: 15.215 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 :: 7.313 HA :: 3.783 HB :: 2.438 HG12 :: 1.845 HG13 :: 1.220 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 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 :: 114.397 Ave N Shift Values>> N :: 121.46(4.28) 1.R90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 R 0.27 C Shift Assignments>> C :: 177.374 CA :: 61.199 CB :: 29.349 CG :: 26.902 CD :: 44.400 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 :: 7.271 HA :: 3.849 HG2 :: 1.775 HG3 :: 1.775 HD2 :: 3.292 HD3 :: 3.154 HE :: 9.984(S) 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 :: 116.374 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.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.17 I 0.12 Q 0.01 K 0.01 C Shift Assignments>> C :: 179.439 CA :: 59.431 CB :: 31.389 CG :: 36.887 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 :: 8.782 HA :: 4.212 HB2 :: 2.089 HB3 :: 2.284 HG2 :: 2.526 HG3 :: 2.412 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 :: 115.171 Ave N Shift Values>> N :: 120.67(3.48) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.21 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> C :: 180.785 CA :: 58.615 CB :: 29.789 CG :: 36.732 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 :: 8.296 HA :: 4.306 HB2 :: 2.144 HB3 :: 2.144 HG2 :: 2.772 HG3 :: 2.402 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 :: 113.430 Ave N Shift Values>> N :: 120.67(3.48) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 C Shift Assignments>> C :: 179.111 CA :: 57.796 CB :: 40.389 CG :: 28.103 CD1 :: 26.865 CD2 :: 22.715 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 :: 8.569 HA :: 4.347 HB2 :: 2.263 HB3 :: 1.303 HG :: 2.090 HD11 :: 1.116 HD12 :: 1.116 HD13 :: 1.116 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 117.647 Ave N Shift Values>> N :: 121.86(3.9) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.11 C Shift Assignments>> C :: 178.983 CA :: 59.243 CB :: 41.392 CG :: 27.888 CD1 :: 25.782 CD2 :: 23.554 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 :: 8.341 HA :: 4.138 HB2 :: 2.196 HB3 :: 1.300 HG :: 1.978 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 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 :: 119.785 Ave N Shift Values>> N :: 121.86(3.9) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 R 0.27 P 0.18 Q 0.1 I 0.03 V 0.01 C Shift Assignments>> C :: 180.352 CA :: 60.330 CB :: 32.787 CG :: 26.183 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 :: 7.422 HA :: 4.113 HB2 :: 2.017 HB3 :: 1.959 HG2 :: 1.738 HG3 :: 1.520 HE2 :: 2.987 HE3 :: 2.987 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 :: 117.043 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.610 CA :: 63.509 CB :: 37.576 CG1 :: 30.243 CG2 :: 18.304 CD1 :: 13.790 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 :: 7.883 HA :: 3.905 HB :: 2.093 HG12 :: 1.354 HG13 :: 1.638 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.878 HD12 :: 0.878 HD13 :: 0.878 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 :: 120.243 Ave N Shift Values>> N :: 121.46(4.28) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 R 0.36 G 0.08 C Shift Assignments>> C :: 178.914 CA :: 58.238 CB :: 43.153 CG :: 27.653 CD1 :: 26.273 CD2 :: 24.370 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 :: 8.341 HA :: 4.048 HB2 :: 2.280 HB3 :: 1.606 HG :: 2.098 HD11 :: 1.028 HD12 :: 1.028 HD13 :: 1.028 HD21 :: 1.153 HD22 :: 1.153 HD23 :: 1.153 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 :: 120.081 Ave N Shift Values>> N :: 121.86(3.9) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.29 E 0.23 M 0.07 I 0.02 R 0.01 C Shift Assignments>> C :: 176.864 CA :: 57.870 CB :: 29.562 CG :: 34.469 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 :: 7.545 HA :: 4.119 HB2 :: 2.316 HB3 :: 2.316 HG2 :: 2.655 HG3 :: 2.514 HE21 :: 7.182 HE22 :: 6.597 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 :: 114.767 NE2 :: 109.645 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.16 K 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.306 CA :: 55.496 CB :: 30.260 CG :: 36.636 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 :: 7.742 HA :: 4.614 HB2 :: 2.300 HB3 :: 2.160 HG2 :: 2.413 HG3 :: 2.350 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 :: 115.922 Ave N Shift Values>> N :: 120.67(3.48) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 A 0.21 R 0.02 C Shift Assignments>> C :: 174.455 CA :: 53.199 CB :: 41.546 CG :: 26.099 CD1 :: 26.559 CD2 :: 22.533 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 :: 7.193 HA :: 4.846 HB2 :: 1.957 HB3 :: 1.599 HG :: 2.139 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 121.880 Ave N Shift Values>> N :: 121.86(3.9) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.606 CA :: 63.174 CB :: 32.327 CG :: 27.388 CD :: 50.636 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 :: 4.635 HB2 :: 2.471 HB3 :: 2.114 HG2 :: 2.126 HG3 :: 2.010 HD2 :: 3.633 HD3 :: 3.776 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.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T45 1.T45 C Shift Assignments>> C :: 174.585 CA :: 59.252 CB :: 63.327 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.156 HA :: 4.498 HB2 :: 3.997 HB3 :: 3.997 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 :: 113.187 Ave N Shift Values>> N :: 116.28(3.52) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V16 1.K73 1.V16 1.K73 C Shift Assignments>> C :: 175.214 CA :: 60.812 CB :: 33.875 CG1 :: 20.286 CG2 :: 22.061 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 :: 7.959 HA :: 4.428 HB :: 2.043 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 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 :: 120.647 Ave N Shift Values>> N :: 121.14(4.54) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.199 CA :: 57.596 CB :: 65.361 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.758 HA :: 4.888 HB2 :: 4.500 HB3 :: 4.193 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 :: 119.995 Ave N Shift Values>> N :: 116.28(3.52) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.32 E 0.18 I 0.09 R 0.05 M 0.01 C Shift Assignments>> C :: 178.660 CA :: 59.323 CB :: 28.532 CG :: 34.429 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 :: 9.047 HA :: 3.958 HB2 :: 2.198 HB3 :: 2.198 HG2 :: 2.546 HG3 :: 2.546 HE21 :: 7.783 HE22 :: 6.999 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 :: 121.164 NE2 :: 113.023 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 E 0.37 K 0.04 C Shift Assignments>> C :: 178.483 CA :: 60.311 CB :: 29.151 CG :: 36.910 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 :: 8.692 HA :: 4.034 HB2 :: 2.169 HB3 :: 2.051 HG2 :: 2.451 HG3 :: 2.350 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 :: 119.117 Ave N Shift Values>> N :: 120.67(3.48) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N139 1.N139 C Shift Assignments>> C :: 178.159 CA :: 66.575 CB :: 68.165 CG2 :: 22.423 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 :: 7.955 HA :: 4.100 HB :: 4.254 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 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 :: 118.602 Ave N Shift Values>> N :: 115.42(4.75) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.02 G 0.01 C Shift Assignments>> C :: 179.607 CA :: 58.882 CB :: 41.929 CG :: 26.045 CD1 :: 25.020 CD2 :: 22.431 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 :: 8.312 HA :: 3.601 HB2 :: 1.841 HB3 :: 1.161 HG :: 1.349 HD11 :: 0.378 HD12 :: 0.378 HD13 :: 0.378 HD21 :: -0.199 HD22 :: -0.199 HD23 :: -0.199 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 :: 124.571 Ave N Shift Values>> N :: 121.86(3.9) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 K 0.17 W 0.11 M 0.09 R 0.08 Q 0.08 H 0.06 E 0.05 P 0.02 C Shift Assignments>> C :: 178.885 CA :: 59.913 CB :: 32.784 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 :: 8.200 HA :: 4.026 HB2 :: 1.904 HB3 :: 1.904 HE2 :: 3.311 HE3 :: 3.311 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 :: 120.259 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 H 0.45 HN Overlap>> 1.I72 1.I72 C Shift Assignments>> C :: 177.823 CA :: 59.172 CB :: 30.792 CD2 :: 120.130 CE1 :: 138.478 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 :: 8.638 HA :: 4.475 HB2 :: 3.312 HB3 :: 3.219 HD2 :: 7.136 HE1 :: 7.951 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 :: 117.861 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.85 T 0.14 C Shift Assignments>> C :: 175.886 CA :: 60.356 CB :: 65.878 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.198 HA :: 4.352 HB2 :: 4.213 HB3 :: 3.600 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 :: 111.067 Ave N Shift Values>> N :: 116.28(3.52) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 176.591 CA :: 46.421 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.426 HA2 :: 4.233 HA3 :: 4.108 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.329 Ave N Shift Values>> N :: 109.67(3.87) 1.I113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> C :: 175.670 CA :: 61.515 CB :: 38.302 CG1 :: 29.351 CG2 :: 19.789 CD1 :: 14.511 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 :: 8.080 HA :: 4.127 HB :: 1.780 HG12 :: 1.668 HG13 :: 1.597 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 HD11 :: 1.129 HD12 :: 1.129 HD13 :: 1.129 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 :: 120.634 Ave N Shift Values>> N :: 121.46(4.28) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.04 P 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 175.927 CA :: 47.542 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.387 HA2 :: 4.011 HA3 :: 3.824 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.900 Ave N Shift Values>> N :: 109.67(3.87) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.25 M 0.02 P 0.01 C Shift Assignments>> C :: 179.231 CA :: 59.240 CB :: 30.059 CG :: 28.001 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 :: 7.591 HA :: 4.292 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 1.870 HG3 :: 1.870 HD2 :: 3.374 HD3 :: 3.374 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 :: 121.386 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.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 I 0.01 C Shift Assignments>> C :: 180.711 CA :: 54.754 CB :: 18.979 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.740 HA :: 4.524 HB1 :: 1.678 HB2 :: 1.678 HB3 :: 1.678 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.690 Ave N Shift Values>> N :: 123.23(3.54) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.739 CA :: 67.558 CB :: 32.210 CG1 :: 24.177 CG2 :: 22.859 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 :: 8.449 HA :: 3.850 HB :: 2.464 HG11 :: 1.277 HG12 :: 1.277 HG13 :: 1.277 HG21 :: 1.084 HG22 :: 1.084 HG23 :: 1.084 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 :: 118.959 Ave N Shift Values>> N :: 121.14(4.54) 1.M118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 M 0.14 R 0.12 W 0.11 H 0.1 Q 0.1 V 0.09 E 0.08 C Shift Assignments>> C :: 177.317 CA :: 58.320 CG :: 32.549 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 :: 8.595 HA :: 4.515 HG2 :: 2.874 HG3 :: 2.764 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 :: 120.855 Ave N Shift Values>> N :: 120.09(3.57) 1.Y119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 178.620 CA :: 62.147 CB :: 38.256 CD1 :: 134.008 CD2 :: 133.958 CE1 :: 118.409 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 :: 8.185 HA :: 4.244 HB2 :: 3.393 HB3 :: 3.393 HD1 :: 7.425 HD2 :: 7.381 HE1 :: 6.953 HE2 :: 6.953 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 :: 118.857 Ave N Shift Values>> N :: 120.52(4.2) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.05 R 0.02 C Shift Assignments>> C :: 178.629 CA :: 58.096 CB :: 40.353 CG :: 26.819 CD1 :: 27.073 CD2 :: 21.619 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 :: 7.390 HA :: 4.220 HB2 :: 2.150 HB3 :: 2.150 HG :: 2.443 HD11 :: 1.273 HD12 :: 1.273 HD13 :: 1.273 HD21 :: 1.181 HD22 :: 1.181 HD23 :: 1.181 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 :: 116.514 Ave N Shift Values>> N :: 121.86(3.9) 1.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 177.035 CA :: 60.900 CB :: 39.107 CD1 :: 133.011 CE1 :: 118.301 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 :: 8.447 HA :: 4.140 HB2 :: 3.458 HB3 :: 3.177 HD1 :: 7.304 HD2 :: 7.304 HE1 :: 6.885 HE2 :: 6.885 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 :: 117.445 Ave N Shift Values>> N :: 120.52(4.2) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.714 CA :: 55.002 CB :: 32.915 CG :: 25.349 CD :: 28.868 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 :: 7.574 HA :: 4.150 HB2 :: 2.007 HB3 :: 1.809 HG2 :: 1.749 HG3 :: 1.558 HD2 :: 1.720 HD3 :: 1.720 HE2 :: 3.166 HE3 :: 3.166 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 :: 112.700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.56 W 0.43 C Shift Assignments>> C :: 177.021 CA :: 57.448 CB :: 31.558 CD2 :: 118.075 CE1 :: 138.483 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 :: 7.725 HA :: 4.346 HB2 :: 3.492 HB3 :: 3.117 HD2 :: 6.771 HE1 :: 7.678 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 :: 126.070 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.541 CA :: 64.858 CB :: 32.751 CG :: 27.470 CD :: 50.968 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 :: 4.510 HB2 :: 2.443 HB3 :: 2.009 HG2 :: 1.989 HG3 :: 1.875 HD2 :: 2.655 HD3 :: 3.668 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.K125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.009 CA :: 55.085 CB :: 32.645 CG :: 25.522 CD :: 28.920 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 :: 11.263(S) HA :: 4.653 HB2 :: 2.255 HB3 :: 1.976 HG2 :: 1.762 HG3 :: 1.595 HD2 :: 1.865 HD3 :: 1.865 HE2 :: 3.160 HE3 :: 3.160 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 :: 119.393 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.64 M 0.29 Q 0.02 I 0.02 K 0.01 C Shift Assignments>> C :: 176.129 CA :: 57.110 CB :: 31.433 CG :: 36.684 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 :: 7.421 HA :: 4.678 HB2 :: 2.284 HB3 :: 2.088 HG2 :: 2.787 HG3 :: 2.290 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 :: 122.642 Ave N Shift Values>> N :: 120.67(3.48) 1.S127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> CA :: 57.696 CB :: 65.843 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 11.230(S) HA :: 4.533 HB2 :: 4.438 HB3 :: 4.075 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 :: 127.132 Ave N Shift Values>> N :: 116.28(3.52) 1.R128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.22 E 0.15 R 0.12 H 0.11 Q 0.09 I 0.09 K 0.09 V 0.05 M 0.03 C Shift Assignments>> C :: 178.702 CA :: 59.662 CB :: 29.917 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>> HA :: 4.043 HB2 :: 2.121 HB3 :: 2.121 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) 1.S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.751 CA :: 61.449 CB :: 62.328 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.574 HA :: 4.369 HB2 :: 4.041 HB3 :: 3.951 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 :: 112.820 Ave N Shift Values>> N :: 116.28(3.52) 1.N130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 M 0.17 N 0.14 Y 0.11 F 0.06 K 0.05 Q 0.03 I 0.01 D 0.01 C Shift Assignments>> C :: 178.621 CA :: 55.238 CB :: 36.352 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 :: 7.697 HA :: 4.721 HB2 :: 3.361 HB3 :: 2.302 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 :: 122.247 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 178.955 CA :: 61.989 CB :: 32.734 CG :: 27.662 CD :: 29.934 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 :: 8.993 HA :: 4.040 HB2 :: 2.135 HB3 :: 1.973 HG2 :: 1.657 HG3 :: 1.503 HD2 :: 1.531 HD3 :: 1.531 HE2 :: 3.016 HE3 :: 3.016 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 :: 122.232 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 L 0.12 D 0.11 I 0.07 K 0.06 N 0.01 C Shift Assignments>> C :: 179.800 CA :: 57.629 CB :: 40.456 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 :: 8.490 HA :: 4.581 HB2 :: 2.945 HB3 :: 2.797 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 :: 119.479 Ave N Shift Values>> N :: 120.65(3.86) 1.M133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.03 C Shift Assignments>> C :: 178.055 CA :: 60.014 CB :: 34.910 CG :: 32.836 CE :: 18.198 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 :: 7.548 HA :: 4.093 HB2 :: 1.829 HB3 :: 2.504 HG2 :: 2.553 HG3 :: 2.921 HE1 :: 2.284 HE2 :: 2.284 HE3 :: 2.284 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 :: 118.686 Ave N Shift Values>> N :: 120.09(3.57) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.4 I 0.04 C Shift Assignments>> C :: 178.767 CA :: 55.235 CB :: 18.202 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.942 HA :: 3.871 HB1 :: 1.619 HB2 :: 1.619 HB3 :: 1.619 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.294 Ave N Shift Values>> N :: 123.23(3.54) 1.G135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> C :: 176.105 CA :: 47.126 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.029 HA2 :: 2.966 HA3 :: 3.734 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.799 Ave N Shift Values>> N :: 109.67(3.87) 1.K136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.437 CA :: 59.749 CB :: 32.442 CG :: 25.630 CD :: 29.471 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 :: 7.446 HA :: 4.050 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 1.650 HG3 :: 1.470 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.041 HE3 :: 3.041 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 :: 122.304 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.89 A 0.06 R 0.03 C Shift Assignments>> C :: 177.293 CA :: 57.372 CB :: 40.597 CG :: 26.400 CD1 :: 27.185 CD2 :: 21.968 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 :: 7.405 HA :: 3.365 HB2 :: 1.501 HB3 :: -0.261(S) HG :: 1.473 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.464 HD22 :: 0.464 HD23 :: 0.464 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 :: 120.679 Ave N Shift Values>> N :: 121.86(3.9) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.601 CB :: 37.572 CG1 :: 28.697 CG2 :: 17.313 CD1 :: 13.334 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 :: 8.040 HA :: 3.587 HB :: 1.613 HG12 :: 1.497 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 HD11 :: 0.582 HD12 :: 0.582 HD13 :: 0.582 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 :: 117.016 Ave N Shift Values>> N :: 121.46(4.28) 1.N139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.28 N 0.1 D 0.1 I 0.07 L 0.05 E 0.03 M 0.01 HN Overlap>> 1.T107 1.T107 C Shift Assignments>> CA :: 56.627 CB :: 38.713 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 :: 7.925 HA :: 4.433 HB2 :: 2.911 HB3 :: 2.864 HD21 :: 7.610 HD22 :: 6.845 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 :: 118.553 ND2 :: 112.442 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.19 K 0.15 Q 0.1 M 0.02 C Shift Assignments>> CA :: 59.269 CB :: 29.355 CG :: 35.844 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 :: 7.823 HA :: 4.206 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.444 HG3 :: 2.444 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 :: 123.934 Ave N Shift Values>> N :: 120.67(3.48) 1.W141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CA :: 56.906 CB :: 29.688 CD1 :: 123.967 CE3 :: 119.906 CZ2 :: 114.104 CZ3 :: 119.884 CH2 :: 123.504 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> HA :: 4.895 HB2 :: 3.598 HB3 :: 3.287 HD1 :: 7.163 HE1 :: 10.330 HE3 :: 7.383 HZ2 :: 7.388 HZ3 :: 6.809 HH2 :: 6.978 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 127.607 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S142 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R143 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P144 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.977 CA :: 45.653 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.112 HA3 :: 4.112 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.1 G 0.04 A 0.01 HN Overlap>> 1.A86 1.A86 C Shift Assignments>> C :: 177.932 CA :: 55.445 CB :: 42.789 CG :: 27.130 CD1 :: 25.123 CD2 :: 23.848 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 :: 8.247 HA :: 4.505 HB2 :: 1.776 HD21 :: 1.023 HD22 :: 1.023 HD23 :: 1.023 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 :: 121.465 Ave N Shift Values>> N :: 121.86(3.9) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.405 CA :: 45.520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.550 HA2 :: 4.087 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.231 Ave N Shift Values>> N :: 109.67(3.87) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 178.812 CA :: 60.024 CB :: 65.149 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.898 HA :: 4.404 HB2 :: 3.959 HB3 :: 3.959 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 :: 121.073 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 144 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 143 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 0 C Shift Results: #Consistent: 616 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1013 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K42 H = 11.583(S), Expected = 8.19, Std = 0.6000, ChiSquare = 1.5585e-08 1.K43 HB3 = -0.289(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.6992e-14 1.R90 HE = 9.984(S), Expected = 7.40, Std = 0.6300, ChiSquare = 4.1033e-05 1.K125 H = 11.263(S), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0285e-07 1.S127 H = 11.230(S), Expected = 8.28, Std = 0.5900, ChiSquare = 5.7330e-07 1.L137 HB3 = -0.261(S), Expected = 1.52, Std = 0.3600, ChiSquare = 7.5280e-07