Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.866 CA :: 57.951 CB :: 63.632 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.242 HA :: 4.482 HB2 :: 3.867 HB3 :: 3.842 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 :: 115.461 Ave N Shift Values>> N :: 116.28(3.52) 1.N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.13 C 0.1 Y 0.06 F 0.06 L 0.03 M 0.01 C Shift Assignments>> C :: 174.216 CA :: 52.853 CB :: 38.438 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 :: 8.483 HA :: 4.732 HB2 :: 2.803 HB3 :: 2.729 HD21 :: 7.513 HD22 :: 6.862 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.525 ND2 :: 112.510 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 173.851 CA :: 58.441 CB :: 38.420 CG1 :: 26.693 CG2 :: 16.754 CD1 :: 12.436 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 :: 8.004 HA :: 4.372 HB :: 1.798 HG12 :: 1.463 HG13 :: 1.092 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.296 Ave N Shift Values>> N :: 121.46(4.28) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.736 CA :: 62.698 CB :: 31.710 CG :: 27.213 CD :: 50.625 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 :: 4.419 HB2 :: 1.920 HB3 :: 2.285 HG2 :: 2.043 HG3 :: 1.929 HD2 :: 3.818 HD3 :: 3.609 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.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.33 C Shift Assignments>> C :: 177.858 CA :: 56.338 CB :: 41.811 CG :: 26.586 CD1 :: 24.275 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 :: 8.297 HA :: 4.081 HB2 :: 1.535 HB3 :: 1.595 HG :: 1.597 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.767 HD22 :: 0.767 HD23 :: 0.767 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.369 Ave N Shift Values>> N :: 121.86(3.9) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 K 0.12 Q 0.08 I 0.07 M 0.02 C Shift Assignments>> C :: 177.084 CA :: 57.716 CB :: 29.199 CG :: 36.033 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 :: 8.775 HA :: 4.172 HB2 :: 2.017 HB3 :: 2.041 HG2 :: 2.298 HG3 :: 2.298 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.950 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.11 Q 0.08 M 0.04 I 0.04 C Shift Assignments>> C :: 176.775 CA :: 56.889 CB :: 29.605 CG :: 36.061 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 :: 8.017 HA :: 4.227 HB2 :: 2.099 HB3 :: 1.970 HG2 :: 2.278 HG3 :: 2.242 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 :: 119.676 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.29 A 0.02 R 0.01 HN Overlap>> 1.A128 1.A128 C Shift Assignments>> C :: 177.438 CA :: 55.650 CB :: 41.878 CG :: 26.534 CD1 :: 24.744 CD2 :: 23.158 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 :: 7.873 HA :: 4.250 HB2 :: 1.712 HB3 :: 1.559 HG :: 1.620 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 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 :: 121.419 Ave N Shift Values>> N :: 121.86(3.9) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 R 0.08 E 0.04 M 0.03 C Shift Assignments>> C :: 175.713 CA :: 56.114 CB :: 28.557 CG :: 33.672 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.136 HA :: 4.239 HB2 :: 2.128 HB3 :: 2.041 HG2 :: 2.402 HG3 :: 2.382 HE21 :: 7.493 HE22 :: 6.811 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 :: 118.463 NE2 :: 111.723 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.06 K 0.05 C Shift Assignments>> C :: 175.404 CA :: 56.295 CB :: 30.754 CG :: 26.899 CD :: 43.299 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 :: 7.987 HA :: 4.297 HB2 :: 1.758 HB3 :: 1.870 HG2 :: 1.712 HG3 :: 1.651 HD2 :: 3.247 HD3 :: 3.247 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.933 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.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.11 C 0.1 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.276 CA :: 52.938 CB :: 38.275 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 :: 8.340 HA :: 4.676 HB2 :: 2.841 HB3 :: 2.745 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 :: 118.328 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.2 A 0.08 R 0.03 G 0.03 C Shift Assignments>> C :: 175.802 CA :: 54.415 CB :: 42.612 CG :: 25.975 CD1 :: 25.598 CD2 :: 22.678 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 :: 7.808 HA :: 4.223 HB2 :: 1.602 HB3 :: 1.176 HG :: 1.595 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 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 :: 120.596 Ave N Shift Values>> N :: 121.86(3.9) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.28 Q 0.23 E 0.04 K 0.03 C Shift Assignments>> C :: 173.756 CA :: 55.451 CB :: 31.544 CG :: 33.533 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.529 HA :: 4.138 HB2 :: 1.419 HB3 :: 1.491 HG2 :: 1.782 HG3 :: 2.017 HE21 :: 7.189 HE22 :: 6.710 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.676 NE2 :: 111.242 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.32 C 0.16 C Shift Assignments>> C :: 175.190 CA :: 55.331 CB :: 40.867 CD1 :: 132.615 CE1 :: 130.667 CZ :: 129.737 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 :: 8.004 HA :: 4.832 HB2 :: 3.063 HB3 :: 3.243 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 7.274 HE2 :: 7.274 HZ :: 7.283 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.645 Ave N Shift Values>> N :: 120.45(4.18) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 W 0.1 H 0.09 C Shift Assignments>> C :: 175.508 CA :: 62.059 CB :: 31.917 CD2 :: 117.249 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 :: 9.751 HA :: 4.448 HB2 :: 3.472 HB3 :: 2.977 HD2 :: 7.326 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 :: 123.148 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 L 0.11 C 0.07 C Shift Assignments>> C :: 173.900 CA :: 50.420 CB :: 21.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.533 HA :: 5.862(S) HB1 :: 1.226 HB2 :: 1.226 HB3 :: 1.226 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 112.267 Ave N Shift Values>> N :: 123.23(3.54) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 Y 0.2 C 0.19 C Shift Assignments>> C :: 173.817 CA :: 53.888 CB :: 39.437 CD1 :: 131.430 CE1 :: 130.611 CZ :: 128.292 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 :: 8.510 HA :: 5.692 HB2 :: 3.350 HB3 :: 2.978 HD1 :: 7.154 HD2 :: 7.154 HE1 :: 7.220 HE2 :: 7.220 HZ :: 7.333 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 :: 124.039 Ave N Shift Values>> N :: 120.45(4.18) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 A 0.01 C Shift Assignments>> C :: 172.785 CA :: 58.533 CB :: 37.700 CG1 :: 26.985 CG2 :: 17.549 CD1 :: 13.141 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 :: 8.043 HA :: 4.767 HB :: 1.818 HG12 :: 1.120 HG13 :: 1.296 HG21 :: 0.669 HG22 :: 0.669 HG23 :: 0.669 HD11 :: 0.606 HD12 :: 0.606 HD13 :: 0.606 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 :: 126.536 Ave N Shift Values>> N :: 121.46(4.28) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.407 CA :: 56.401 CB :: 64.012 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.555 HA :: 4.532 HB2 :: 3.172 HB3 :: 3.071 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 :: 121.360 Ave N Shift Values>> N :: 116.28(3.52) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 172.423 CA :: 55.127 CB :: 39.696 CD1 :: 134.012 CE1 :: 117.342 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.321 HA :: 5.006 HB2 :: 3.103 HB3 :: 2.864 HD1 :: 6.905 HD2 :: 6.905 HE1 :: 6.702 HE2 :: 6.702 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.907 Ave N Shift Values>> N :: 120.52(4.2) 1.S21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.819 CA :: 56.156 CB :: 64.196 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.586(S) HA :: 4.619 HB2 :: 4.010 HB3 :: 3.915 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 :: 115.967 Ave N Shift Values>> N :: 116.28(3.52) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 176.677 CA :: 47.341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.162 HA2 :: 3.968 HA3 :: 4.070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.425 Ave N Shift Values>> N :: 109.67(3.87) 1.H23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.16 C 0.16 E 0.14 R 0.11 H 0.11 Q 0.1 K 0.09 I 0.04 M 0.03 V 0.02 C Shift Assignments>> C :: 176.226 CA :: 58.623 CB :: 29.907 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>> HA :: 4.474 HB2 :: 3.091 HB3 :: 2.921 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) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.17 F 0.09 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> C :: 175.525 CA :: 53.940 CB :: 40.749 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 :: 8.259 HA :: 5.271 HB2 :: 3.086 HB3 :: 2.858 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 :: 118.063 Ave N Shift Values>> N :: 120.65(3.86) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.961 CA :: 62.160 CB :: 63.423 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.720 HA :: 3.901 HB2 :: 4.209 HB3 :: 4.164 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 :: 114.663 Ave N Shift Values>> N :: 116.28(3.52) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.35 C 0.28 C Shift Assignments>> C :: 177.361 CA :: 62.059 CB :: 37.733 CD1 :: 131.619 CE1 :: 131.543 CZ :: 130.432 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 :: 8.856 HA :: 4.110 HB2 :: 3.248 HB3 :: 3.203 HD1 :: 7.289 HD2 :: 7.289 HE1 :: 7.403 HE2 :: 7.403 HZ :: 7.089 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 :: 122.371 Ave N Shift Values>> N :: 120.45(4.18) 1.W27 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 W 0.47 HN Overlap>> 1.I60 1.I60 C Shift Assignments>> C :: 178.577 CA :: 62.142 CB :: 28.013 CD1 :: 126.284 CE3 :: 119.137 CZ2 :: 113.786 CZ3 :: 120.789 CH2 :: 121.700 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 :: 8.249 HA :: 3.934 HB2 :: 3.292 HB3 :: 3.085 HD1 :: 7.004 HE1 :: 6.136(S) HE3 :: 7.133 HZ2 :: 6.019(S) HZ3 :: 6.745 HH2 :: 6.827 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 :: 121.150 NE1 :: 125.511 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HE1 > HD1 : 0.9930) (HE1 > HZ3 : 0.9924) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 HN Overlap>> 1.A151 1.A151 C Shift Assignments>> C :: 176.167 CA :: 66.413 CB :: 31.190 CG1 :: 19.478 CG2 :: 22.550 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 :: 7.780 HA :: 3.086 HB :: 1.560 HG11 :: 0.078 HG12 :: 0.078 HG13 :: 0.078 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 119.207 Ave N Shift Values>> N :: 121.14(4.54) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.1 C Shift Assignments>> C :: 176.719 CA :: 58.550 CB :: 31.962 CG :: 25.463 CD :: 28.500 CE :: 41.525 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 :: 8.485 HA :: 3.754 HB2 :: 1.617 HB3 :: 1.652 HG2 :: 1.446 HG3 :: 1.198 HD2 :: 1.550 HD3 :: 1.550 HE2 :: 2.840 HE3 :: 2.840 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 :: 114.926 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.25 F 0.11 Y 0.1 L 0.09 C 0.08 C Shift Assignments>> C :: 174.508 CA :: 54.098 CB :: 39.482 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 :: 7.841 HA :: 4.477 HB2 :: 2.300 HB3 :: 2.137 HD21 :: 6.664 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 :: 112.444 ND2 :: 114.822 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.28 K 0.24 C 0.24 E 0.14 M 0.03 R 0.02 I 0.01 HN Overlap>> 1.Y89 1.S67 1.Y89 1.S67 1.N154 1.N154 C Shift Assignments>> C :: 175.492 CA :: 56.514 CB :: 29.140 CG :: 34.424 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 :: 7.511 HA :: 4.348 HB2 :: 0.708(S) HB3 :: 1.485 HG2 :: 1.880 HG3 :: 2.048 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.459 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 R 0.01 C Shift Assignments>> C :: 176.554 CA :: 58.539 CB :: 40.755 CG :: 26.769 CD1 :: 26.798 CD2 :: 24.845 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.460 HA :: 3.741 HB2 :: 0.598 HB3 :: 1.681 HG :: 1.356 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 HD21 :: 1.053 HD22 :: 1.053 HD23 :: 1.053 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 :: 119.936 Ave N Shift Values>> N :: 121.86(3.9) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 L 0.2 C Shift Assignments>> C :: 175.525 CA :: 59.296 CB :: 38.219 CG :: 26.529 CD1 :: 24.721 CD2 :: 23.159 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 :: 8.542 HA :: 3.836 HB2 :: 1.557 HB3 :: 1.557 HG :: 1.510 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.697 HD22 :: 0.697 HD23 :: 0.697 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 :: 116.739 Ave N Shift Values>> N :: 121.86(3.9) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 178.458 CA :: 65.239 CB :: 30.326 CG :: 27.940 CD :: 49.450 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 :: 4.197 HB2 :: 1.400 HB3 :: 2.111 HG2 :: 1.639 HG3 :: 1.639 HD2 :: 3.305 HD3 :: 2.685 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.N35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.16 N 0.15 D 0.1 L 0.04 I 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 175.674 CA :: 55.947 CB :: 38.572 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.470 HA :: 4.088 HB2 :: 1.655(S) HB3 :: 1.655(S) HD21 :: 6.426 HD22 :: 6.710 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 :: 111.954 ND2 :: 114.527 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.44 A 0.08 R 0.01 C Shift Assignments>> C :: 178.212 CA :: 56.257 CB :: 41.654 CG :: 26.047 CD1 :: 21.780 CD2 :: 25.266 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 :: 7.685 HA :: 4.307 HB2 :: 1.408 HB3 :: 1.654 HG :: 1.886 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 117.667 Ave N Shift Values>> N :: 121.86(3.9) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 I 0.28 E 0.25 K 0.02 C Shift Assignments>> C :: 179.086 CA :: 58.650 CB :: 28.902 CG :: 37.543 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 :: 8.755 HA :: 4.105 HB2 :: 2.016 HB3 :: 1.913 HG2 :: 2.353 HG3 :: 2.132 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 :: 119.377 Ave N Shift Values>> N :: 120.67(3.48) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.1 C Shift Assignments>> C :: 176.576 CA :: 57.373 CB :: 32.189 CG :: 24.194 CD :: 28.851 CE :: 41.657 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 :: 7.613 HA :: 4.224 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 1.380 HG3 :: 1.380 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.906 HE3 :: 2.906 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 :: 119.301 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 C 0.26 Q 0.2 K 0.19 M 0.02 I 0.01 R 0.01 C Shift Assignments>> C :: 176.089 CA :: 55.362 CB :: 28.855 CG :: 35.433 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 :: 7.456 HA :: 4.300 HB2 :: 1.865 HB3 :: 2.327 HG2 :: 2.235 HG3 :: 2.235 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 :: 115.996 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.532 CA :: 45.212 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.035 HA2 :: 3.741 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 :: 106.450 Ave N Shift Values>> N :: 109.67(3.87) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.34 A 0.21 C Shift Assignments>> C :: 175.658 CA :: 55.412 CB :: 33.853 CG :: 33.017 CE :: 17.876 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 :: 7.096 HA :: 4.244 HB2 :: 1.631 HB3 :: 1.865 HG2 :: 2.351 HG3 :: 2.073 HE1 :: 1.903 HE2 :: 1.903 HE3 :: 1.903 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 :: 117.260 Ave N Shift Values>> N :: 120.09(3.57) 1.Q42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.33 K 0.27 C 0.22 M 0.1 E 0.03 R 0.03 C Shift Assignments>> C :: 175.575 CA :: 54.757 CB :: 29.545 CG :: 33.435 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 :: 11.689(S) HA :: 4.785 HB2 :: 2.393 HB3 :: 2.393 HG2 :: 2.635 HG3 :: 2.563 HE21 :: 7.238 HE22 :: 6.853 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 :: 126.320 NE2 :: 112.813 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.46 A 0.03 C Shift Assignments>> C :: 173.853 CA :: 57.889 CB :: 38.817 CG1 :: 26.784 CG2 :: 18.267 CD1 :: 12.175 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.155 HA :: 5.179 HB :: 1.928 HG12 :: 1.397 HG13 :: 1.251 HG21 :: 0.768 HG22 :: 0.768 HG23 :: 0.768 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 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 :: 126.464 Ave N Shift Values>> N :: 121.46(4.28) 1.C44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.2 L 0.18 Q 0.13 C 0.12 H 0.09 W 0.08 K 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 172.656 CA :: 55.701 CB :: 27.494 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.139 HA :: 4.350 HB2 :: 1.946 HB3 :: 1.272(S) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.317 Ave N Shift Values>> N :: 120.17(4.64) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.4 C 0.14 C Shift Assignments>> C :: 177.327 CA :: 53.653 CB :: 44.940 CG :: 26.831 CD1 :: 25.411 CD2 :: 24.604 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.643 HA :: 5.052 HB2 :: 1.641 HB3 :: 2.100 HG :: 1.659 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.718 Ave N Shift Values>> N :: 121.86(3.9) 1.H46 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.437 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) 1.E47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.42 C 0.41 K 0.08 G 0.07 C Shift Assignments>> C :: 172.606 CA :: 56.768 CB :: 32.160 CG :: 26.661 CD :: 43.464 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 :: 4.464 HB2 :: 1.890 HB3 :: 1.840 HG2 :: 1.613 HG3 :: 1.613 HD2 :: 3.267 HD3 :: 3.212 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.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 K 0.11 N 0.1 F 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.N77 1.N77 C Shift Assignments>> C :: 173.999 CA :: 54.174 CB :: 41.224 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 :: 8.173 HA :: 4.995 HB2 :: 2.408 HB3 :: 2.974 HD21 :: 7.125 HD22 :: 7.947 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.473 ND2 :: 112.033 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 F 0.38 Y 0.11 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 175.408 CA :: 55.919 CB :: 37.304 CD1 :: 129.801 CE1 :: 131.268 CZ :: 129.242 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.779 HA :: 4.536 HB2 :: 3.369 HB3 :: 2.899 HD1 :: 7.005 HD2 :: 7.005 HE1 :: 7.223 HE2 :: 7.223 HZ :: 7.104 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.173 Ave N Shift Values>> N :: 120.45(4.18) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 174.824 CA :: 58.829 CB :: 32.632 CG1 :: 20.654 CG2 :: 19.806 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 :: 8.576 HA :: 4.563 HB :: 2.070 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 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 :: 121.918 Ave N Shift Values>> N :: 121.14(4.54) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.175 CA :: 63.240 CB :: 31.488 CG :: 27.036 CD :: 51.016 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 :: 4.447 HB2 :: 2.345 HB3 :: 1.948 HG2 :: 2.080 HG3 :: 2.039 HD2 :: 3.925 HD3 :: 3.759 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.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.651 CA :: 44.966 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.489 HA2 :: 3.990 HA3 :: 3.784 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.795 Ave N Shift Values>> N :: 109.67(3.87) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 C 0.33 R 0.07 C Shift Assignments>> C :: 175.448 CA :: 54.179 CB :: 34.513 CG :: 25.034 CD :: 28.766 CE :: 41.861 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 :: 7.289 HA :: 4.545 HB2 :: 1.609 HB3 :: 1.577 HG2 :: 1.262 HG3 :: 1.262 HD2 :: 1.442 HD3 :: 1.402 HE2 :: 2.899 HE3 :: 2.820 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 :: 119.224 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.828 CA :: 57.112 CB :: 64.397 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.767 HA :: 4.342 HB2 :: 4.215 HB3 :: 3.943 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 :: 117.903 Ave N Shift Values>> N :: 116.28(3.52) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.827 CA :: 64.235 CB :: 36.908 CG1 :: 28.461 CG2 :: 16.567 CD1 :: 12.276 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 :: 8.543 HA :: 3.671 HB :: 1.640 HG12 :: 1.457 HG13 :: 1.104 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.523 Ave N Shift Values>> N :: 121.46(4.28) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.C63 1.C63 C Shift Assignments>> C :: 176.411 CA :: 66.089 CB :: 31.187 CG1 :: 22.637 CG2 :: 20.369 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 :: 7.538 HA :: 3.412 HB :: 1.686 HG11 :: 0.686 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 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 :: 118.231 Ave N Shift Values>> N :: 121.14(4.54) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.17 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.108 CA :: 58.844 CB :: 29.489 CG :: 36.777 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 :: 7.464 HA :: 3.797 HB2 :: 2.037 HB3 :: 1.832 HG2 :: 2.211 HG3 :: 2.122 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.718 Ave N Shift Values>> N :: 120.67(3.48) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.22 Y 0.15 N 0.11 F 0.1 M 0.07 I 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 176.183 CA :: 55.877 CB :: 37.062 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 :: 8.030 HA :: 4.144 HB2 :: 2.150 HB3 :: 2.150 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 :: 119.124 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.W27 1.W27 1.K162 1.K162 C Shift Assignments>> C :: 176.832 CA :: 66.331 CB :: 37.803 CG1 :: 29.407 CG2 :: 17.968 CD1 :: 13.669 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 :: 8.176 HA :: 3.183 HB :: 1.696 HG12 :: 0.966 HG13 :: 1.742 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 HD11 :: 0.340 HD12 :: 0.340 HD13 :: 0.340 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 :: 121.160 Ave N Shift Values>> N :: 121.46(4.28) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 177.331 CA :: 65.309 CB :: 37.551 CG1 :: 29.586 CG2 :: 16.804 CD1 :: 13.482 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 :: 8.159 HA :: 3.471 HB :: 1.813 HG12 :: 1.745 HG13 :: 1.002 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.139 Ave N Shift Values>> N :: 121.46(4.28) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.K66 1.K66 C Shift Assignments>> C :: 175.487 CA :: 66.189 CB :: 68.626 CG2 :: 21.449 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 :: 7.516 HA :: 3.900 HB :: 4.227 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 :: 114.631 Ave N Shift Values>> N :: 115.42(4.75) 1.C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.37 C 0.1 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> C :: 176.437 CA :: 64.262 CB :: 26.167 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.512 HA :: 3.736 HB2 :: 1.962 HB3 :: 1.991 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.234 Ave N Shift Values>> N :: 120.17(4.64) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 179.165 CA :: 65.600 CB :: 38.040 CG1 :: 28.399 CG2 :: 16.534 CD1 :: 14.114 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 :: 8.180 HA :: 3.514 HB :: 1.699 HG12 :: 1.633 HG13 :: 1.295 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 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 :: 120.301 Ave N Shift Values>> N :: 121.46(4.28) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.18 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 177.869 CA :: 58.797 CB :: 29.165 CG :: 36.722 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 :: 8.134 HA :: 4.103 HB2 :: 2.201 HB3 :: 2.126 HG2 :: 2.566 HG3 :: 2.363 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.147 Ave N Shift Values>> N :: 120.67(3.48) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.12 HN Overlap>> 1.T62 1.T62 C Shift Assignments>> C :: 175.485 CA :: 55.810 CB :: 33.806 CG :: 25.087 CD :: 29.292 CE :: 42.065 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 :: 7.476 HA :: 4.679 HB2 :: 2.223 HB3 :: 2.028 HG2 :: 1.771 HG3 :: 1.688 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.024 HE3 :: 2.990 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 :: 114.613 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S115 1.S115 1.E31 1.E31 C Shift Assignments>> C :: 173.784 CA :: 57.393 CB :: 65.087 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.471 HA :: 5.615 HB2 :: 3.666 HB3 :: 3.567 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.383 Ave N Shift Values>> N :: 116.28(3.52) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 175.448 CA :: 60.110 CB :: 37.544 CD1 :: 132.829 CE1 :: 118.337 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 :: 8.647 HA :: 4.430 HB2 :: 3.875 HB3 :: 3.224 HD1 :: 7.332 HD2 :: 7.332 HE1 :: 6.909 HE2 :: 6.909 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 :: 125.918 Ave N Shift Values>> N :: 120.52(4.2) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.32 R 0.22 G 0.03 C Shift Assignments>> C :: 175.525 CA :: 52.845 CB :: 36.263 CG :: 25.359 CD :: 28.924 CE :: 42.251 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 :: 7.641 HA :: 5.078 HB2 :: 1.744 HB3 :: 1.648 HG2 :: 1.286 HG3 :: 1.286 HD2 :: 1.436 HD3 :: 1.436 HE2 :: 2.823 HE3 :: 2.623 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 :: 113.235 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 171.567 CA :: 58.844 CB :: 65.947 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.695 HA :: 5.443 HB2 :: 3.761 HB3 :: 3.656 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.715 Ave N Shift Values>> N :: 116.28(3.52) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.033 CA :: 58.996 CB :: 39.615 CG1 :: 26.966 CG2 :: 16.741 CD1 :: 13.300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.454 HA :: 5.123 HB :: 1.773 HG12 :: 1.531 HG13 :: 0.894 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 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 :: 123.712 Ave N Shift Values>> N :: 121.46(4.28) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.36 Y 0.04 C Shift Assignments>> C :: 173.916 CA :: 54.209 CB :: 39.629 CD1 :: 129.606 CE1 :: 130.322 CZ :: 128.656 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 :: 8.792 HA :: 5.036 HB2 :: 2.980 HB3 :: 2.422 HD1 :: 7.001 HD2 :: 7.001 HE1 :: 6.829 HE2 :: 6.829 HZ :: 6.819 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 :: 126.094 Ave N Shift Values>> N :: 120.45(4.18) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 173.269 CA :: 61.836 CB :: 29.803 CG1 :: 20.956 CG2 :: 23.141 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 :: 7.980 HA :: 3.991 HB :: 2.318 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.198 Ave N Shift Values>> N :: 121.14(4.54) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 R 0.08 G 0.04 A 0.02 C Shift Assignments>> C :: 174.347 CA :: 55.349 CB :: 42.895 CG :: 26.542 CD1 :: 25.898 CD2 :: 23.166 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.220 HA :: 3.981 HB2 :: 1.140 HB3 :: 1.918 HG :: 1.496 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.536 HD22 :: 0.536 HD23 :: 0.536 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 :: 124.785 Ave N Shift Values>> N :: 121.86(3.9) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R129 1.R129 C Shift Assignments>> CA :: 55.605 CB :: 63.124 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.306 HA :: 4.917 HB2 :: 4.435 HB3 :: 3.942 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 :: 115.006 Ave N Shift Values>> N :: 116.28(3.52) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 178.152 CA :: 66.404 CB :: 31.540 CG :: 28.310 CD :: 50.260 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 :: 4.195 HB2 :: 2.452 HB3 :: 1.945 HG2 :: 2.252 HG3 :: 1.279 HD2 :: 3.913 HD3 :: 3.657 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.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.2 C 0.19 N 0.09 E 0.06 D 0.06 I 0.05 L 0.03 M 0.02 HN Overlap>> 1.N49 1.N49 C Shift Assignments>> C :: 177.062 CA :: 56.522 CB :: 38.262 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 :: 8.196 HA :: 4.466 HB2 :: 2.692 HB3 :: 2.692 HD21 :: 8.070 HD22 :: 6.987 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.481 ND2 :: 115.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.68 C 0.2 Y 0.1 C Shift Assignments>> C :: 178.179 CA :: 61.996 CB :: 40.571 CD1 :: 131.428 CE1 :: 129.829 CZ :: 129.067 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 :: 8.317 HA :: 4.296 HB2 :: 3.323 HB3 :: 3.981 HD1 :: 7.265 HD2 :: 7.265 HE1 :: 7.321 HE2 :: 7.321 HZ :: 7.041 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 :: 122.211 Ave N Shift Values>> N :: 120.45(4.18) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 176.489 CA :: 66.707 CB :: 30.989 CG1 :: 21.652 CG2 :: 23.479 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 :: 8.217 HA :: 3.697 HB :: 2.403 HG11 :: 1.079 HG12 :: 1.079 HG13 :: 1.079 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 118.197 Ave N Shift Values>> N :: 121.14(4.54) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.28 Q 0.27 R 0.06 M 0.04 E 0.03 C Shift Assignments>> C :: 176.963 CA :: 57.840 CB :: 28.801 CG :: 33.448 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 :: 7.916 HA :: 4.266 HB2 :: 2.205 HB3 :: 2.295 HG2 :: 2.528 HG3 :: 2.528 HE21 :: 7.427 HE22 :: 6.762 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.953 NE2 :: 111.028 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S81 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 :: 174.215 CA :: 59.543 CB :: 64.961 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.106 HA :: 4.775 HB2 :: 4.051 HB3 :: 3.940 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.619 Ave N Shift Values>> N :: 116.28(3.52) 1.E82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.31 C 0.29 M 0.22 Q 0.12 K 0.04 C Shift Assignments>> C :: 177.398 CA :: 55.821 CB :: 30.965 CG :: 35.535 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 :: 8.077 HA :: 4.651 HB2 :: 0.922(S) HB3 :: 1.693 HG2 :: 2.024 HG3 :: 2.136 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.658 Ave N Shift Values>> N :: 120.67(3.48) 1.W83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 W 0.45 C Shift Assignments>> C :: 175.151 CA :: 60.216 CB :: 29.679 CD1 :: 127.285 CZ2 :: 112.501 CZ3 :: 120.107 CH2 :: 123.452 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 :: 7.618 HA :: 4.012 HB2 :: 3.162 HB3 :: 3.107 HD1 :: 5.608(S) HE1 :: 12.389(S) HE3 :: 7.236 HZ2 :: 6.750 HZ3 :: 6.459 HH2 :: 6.400 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 :: 116.772 NE1 :: 135.330 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 I 0.21 K 0.17 R 0.13 L 0.06 W 0.04 Q 0.03 H 0.02 E 0.01 P 0.01 C Shift Assignments>> C :: 175.225 CA :: 59.615 CB :: 25.865 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.210 HA :: 3.680 HB2 :: 3.029 HB3 :: 2.834 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.826 Ave N Shift Values>> N :: 120.17(4.64) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.33 C 0.32 HN Overlap>> 1.Y132 1.Y132 C Shift Assignments>> C :: 176.670 CA :: 57.905 CB :: 30.118 CD2 :: 120.095 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 :: 6.828 HA :: 4.261 HB2 :: 2.672 HB3 :: 2.457 HD2 :: 7.044 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.234 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 Y 0.36 H 0.01 W 0.01 C Shift Assignments>> C :: 177.087 CA :: 60.795 CB :: 36.022 CD1 :: 131.820 CE1 :: 118.280 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.073 HA :: 3.935 HB2 :: 1.861 HB3 :: 1.093(S) HD1 :: 6.611 HD2 :: 6.611 HE1 :: 6.549 HE2 :: 6.549 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 :: 117.575 Ave N Shift Values>> N :: 120.52(4.2) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.21 K 0.15 Q 0.14 I 0.1 R 0.01 C Shift Assignments>> C :: 177.906 CA :: 59.063 CB :: 28.370 CG :: 35.212 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 :: 7.211 HA :: 3.604 HB2 :: 1.887 HB3 :: 1.718 HG2 :: 2.501 HG3 :: 2.276 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 :: 119.138 Ave N Shift Values>> N :: 120.67(3.48) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.36 C Shift Assignments>> C :: 179.132 CA :: 56.934 CB :: 41.743 CG :: 26.706 CD1 :: 24.193 CD2 :: 23.266 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 :: 7.236 HA :: 4.117 HB2 :: 1.530 HB3 :: 1.218 HG :: 1.501 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 114.190 Ave N Shift Values>> N :: 121.86(3.9) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 177.004 CA :: 59.895 CB :: 38.418 CD1 :: 132.414 CE1 :: 117.714 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.609 HA :: 4.451 HB2 :: 2.785 HB3 :: 2.785 HD1 :: 6.766 HD2 :: 6.766 HE1 :: 6.603 HE2 :: 6.603 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 :: 116.451 Ave N Shift Values>> N :: 120.52(4.2) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.29 Y 0.2 C Shift Assignments>> C :: 176.055 CA :: 58.780 CB :: 38.778 CD1 :: 131.214 CE1 :: 130.373 CZ :: 129.227 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 :: 8.259 HA :: 4.690 HB2 :: 3.144 HB3 :: 3.481 HD1 :: 7.288 HD2 :: 7.288 HE1 :: 7.255 HE2 :: 7.255 HZ :: 7.240 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 :: 116.307 Ave N Shift Values>> N :: 120.45(4.18) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.44 I 0.02 C 0.02 C Shift Assignments>> C :: 178.283 CA :: 54.895 CB :: 18.170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.754 HA :: 4.057 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 123.23(3.54) 1.H92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.33 C 0.15 Y 0.15 F 0.13 D 0.11 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.775 CB :: 38.231 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>> HA :: 4.294 HB2 :: 2.750 HB3 :: 2.699 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) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.34 G 0.02 HN Overlap>> 1.F50 1.F50 C Shift Assignments>> CA :: 56.858 CB :: 42.607 CG :: 26.385 CD1 :: 24.148 CD2 :: 23.975 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 :: 7.829 HA :: 4.117 HB2 :: 1.455 HB3 :: 1.149 HG :: 1.293 HD11 :: 0.624 HD12 :: 0.624 HD13 :: 0.624 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 120.120 Ave N Shift Values>> N :: 121.86(3.9) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.52 C 0.27 Y 0.2 C Shift Assignments>> CA :: 56.378 CB :: 38.601 CD1 :: 131.237 CE1 :: 130.471 CZ :: 129.089 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>> HA :: 4.715 HB2 :: 3.357 HB3 :: 3.048 HD1 :: 7.255 HD2 :: 7.255 HE1 :: 7.126 HE2 :: 7.126 HZ :: 7.044 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) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 E 0.13 W 0.13 Q 0.12 C 0.12 M 0.08 K 0.06 C Shift Assignments>> CA :: 56.101 CB :: 30.444 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 :: 8.006 HA :: 4.591 HB2 :: 3.218 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 :: 121.347 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.422 CA :: 44.971 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.070 HA2 :: 3.949 HA3 :: 3.949 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.975 Ave N Shift Values>> N :: 109.67(3.87) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.926 CA :: 58.359 CB :: 63.994 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.800 HA :: 4.438 HB2 :: 4.066 HB3 :: 3.960 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 :: 114.787 Ave N Shift Values>> N :: 116.28(3.52) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.12 C 0.1 Y 0.06 F 0.06 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 175.442 CA :: 52.950 CB :: 38.286 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>> HA :: 4.966 HB2 :: 2.887 HB3 :: 2.925 HD21 :: 7.552 HD22 :: 6.878 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>> ND2 :: 112.062 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.262 CA :: 59.215 CB :: 64.001 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.225 HA :: 4.442 HB2 :: 4.038 HB3 :: 3.934 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 :: 114.018 Ave N Shift Values>> N :: 116.28(3.52) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.17 G 0.08 R 0.05 A 0.05 C Shift Assignments>> C :: 175.409 CA :: 53.704 CB :: 43.257 CG :: 26.876 CD1 :: 25.462 CD2 :: 23.161 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 :: 7.391 HA :: 4.885 HB2 :: 1.576 HB3 :: 1.226 HG :: 1.214 HD11 :: 0.746 HD12 :: 0.746 HD13 :: 0.746 HD21 :: 0.289 HD22 :: 0.289 HD23 :: 0.289 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 :: 121.204 Ave N Shift Values>> N :: 121.86(3.9) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.402 CA :: 60.195 CB :: 39.789 CG1 :: 27.051 CG2 :: 16.498 CD1 :: 13.887 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.255 HA :: 4.174 HB :: 1.733 HG12 :: 1.429 HG13 :: 1.033 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 HD11 :: 0.657 HD12 :: 0.657 HD13 :: 0.657 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 :: 127.896 Ave N Shift Values>> N :: 121.46(4.28) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.14 G 0.1 R 0.03 A 0.01 C Shift Assignments>> C :: 174.939 CA :: 52.755 CB :: 43.183 CG :: 26.615 CD1 :: 24.092 CD2 :: 25.363 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 :: 8.728 HA :: 5.010 HB2 :: 1.825 HB3 :: 1.190 HG :: 1.648 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 126.510 Ave N Shift Values>> N :: 121.86(3.9) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.42 C Shift Assignments>> C :: 173.988 CA :: 59.174 CB :: 40.727 CG1 :: 27.177 CG2 :: 15.732 CD1 :: 14.851 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 :: 8.837 HA :: 4.831 HB :: 1.826 HG12 :: 1.700 HG13 :: 1.182 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 1.091 HD12 :: 1.091 HD13 :: 1.091 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.521 Ave N Shift Values>> N :: 121.46(4.28) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.16 R 0.03 G 0.02 A 0.01 C Shift Assignments>> C :: 174.619 CA :: 52.826 CB :: 42.390 CG :: 26.859 CD1 :: 24.273 CD2 :: 25.382 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 :: 8.991 HA :: 4.515 HB2 :: 1.700 HB3 :: 0.532 HG :: 0.948 HD11 :: 0.385 HD12 :: 0.385 HD13 :: 0.385 HD21 :: 0.345 HD22 :: 0.345 HD23 :: 0.345 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.148 Ave N Shift Values>> N :: 121.86(3.9) 1.L108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 A 0.25 L 0.13 G 0.07 C Shift Assignments>> C :: 175.326 CA :: 56.484 CB :: 42.895 CG :: 25.921 CD1 :: 23.297 CD2 :: 19.527 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 :: 8.667 HA :: 3.790 HB2 :: 1.359 HB3 :: 0.574 HG :: 0.944 HD11 :: 0.025 HD12 :: 0.025 HD13 :: 0.025 HD21 :: -1.051(S) HD22 :: -1.051(S) HD23 :: -1.051(S) 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 :: 131.041 Ave N Shift Values>> N :: 121.86(3.9) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.39 Q 0.05 E 0.04 C Shift Assignments>> C :: 171.676 CA :: 51.991 CB :: 32.734 CG :: 35.002 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 :: 7.136 HA :: 4.716 HB2 :: 1.868 HB3 :: 1.702 HG2 :: 2.188 HG3 :: 2.188 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.135 Ave N Shift Values>> N :: 120.67(3.48) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 175.116 CA :: 62.852 CB :: 32.069 CG :: 27.131 CD :: 50.190 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.933 HB2 :: 2.210 HB3 :: 1.692 HG2 :: 1.883 HG3 :: 2.006 HD2 :: 3.589 HD3 :: 3.682 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.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.43 A 0.09 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> CA :: 57.146 CB :: 40.118 CG1 :: 26.403 CG2 :: 18.030 CD1 :: 14.213 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 :: 7.841 HA :: 4.277 HB :: 1.448 HG12 :: 1.663 HG13 :: 0.470 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 HD11 :: 0.537 HD12 :: 0.537 HD13 :: 0.537 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 :: 120.479 Ave N Shift Values>> N :: 121.46(4.28) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 178.994 CA :: 61.880 CB :: 31.518 CG :: 27.150 CD :: 50.267 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 :: 4.269 HB2 :: 2.111 HB3 :: 1.167 HG2 :: 1.852 HG3 :: 1.852 HD2 :: 3.666 HD3 :: 3.463 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.Q113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.2 Q 0.18 R 0.15 M 0.01 I 0.01 P 0.01 E 0.01 C Shift Assignments>> C :: 177.515 CA :: 59.232 CB :: 27.758 CG :: 33.069 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>> HA :: 3.751 HB2 :: 2.076 HB3 :: 2.004 HG2 :: 2.307 HG3 :: 2.337 HE21 :: 7.498 HE22 :: 6.723 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>> NE2 :: 110.969 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.43 H 0.04 W 0.01 C Shift Assignments>> C :: 175.626 CA :: 57.457 CB :: 36.143 CD1 :: 132.923 CE1 :: 118.213 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.366 HA :: 4.455 HB2 :: 3.217 HB3 :: 2.986 HD1 :: 7.074 HD2 :: 7.074 HE1 :: 6.824 HE2 :: 6.824 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 :: 112.799 Ave N Shift Values>> N :: 120.52(4.2) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S67 1.S67 C Shift Assignments>> C :: 173.352 CA :: 58.337 CB :: 63.964 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.504 HA :: 4.400 HB2 :: 3.859 HB3 :: 3.568 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.327 Ave N Shift Values>> N :: 116.28(3.52) 1.I116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 173.352 CA :: 59.055 CB :: 38.537 CG1 :: 27.979 CG2 :: 17.254 CD1 :: 12.978 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 :: 7.085 HA :: 4.012 HB :: 1.707 HG12 :: 1.631 HG13 :: 0.607 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 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 :: 123.764 Ave N Shift Values>> N :: 121.46(4.28) 1.P117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.101 CA :: 62.989 CB :: 31.288 CG :: 27.135 CD :: 50.855 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 :: 4.136 HB2 :: 0.702(S) HB3 :: 1.970 HG2 :: 1.685 HG3 :: 1.387 HD2 :: 3.974 HD3 :: 3.118 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.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.862 CA :: 60.737 CB :: 62.552 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.569 HA :: 3.848 HB2 :: 3.898 HB3 :: 3.898 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.613 Ave N Shift Values>> N :: 116.28(3.52) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.392 CA :: 58.383 CB :: 62.702 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.544 HA :: 4.159 HB2 :: 3.835 HB3 :: 4.056 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.980 Ave N Shift Values>> N :: 116.28(3.52) 1.Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.49 C 0.37 W 0.11 C Shift Assignments>> C :: 175.614 CA :: 52.433 CB :: 32.683 CD1 :: 130.893 CE1 :: 118.021 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.691 HA :: 5.163 HB2 :: 3.120 HB3 :: 3.169 HD1 :: 6.888 HD2 :: 6.888 HE1 :: 7.029 HE2 :: 7.029 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 :: 125.299 Ave N Shift Values>> N :: 120.52(4.2) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 W 0.34 H 0.27 HN Overlap>> 1.R142 1.R142 C Shift Assignments>> C :: 178.765 CA :: 59.170 CB :: 30.754 CD2 :: 119.549 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 :: 7.638 HA :: 4.160 HB2 :: 3.249 HB3 :: 3.147 HD2 :: 7.271 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.867 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.48 R 0.31 K 0.17 L 0.02 C Shift Assignments>> C :: 179.208 CA :: 57.927 CB :: 29.796 CG :: 23.911 CD :: 27.415 CE :: 41.801 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>> HA :: 4.273 HB2 :: 2.241 HB3 :: 2.057 HG2 :: 1.483 HG3 :: 1.396 HD2 :: 1.712 HD3 :: 1.712 HE2 :: 2.990 HE3 :: 2.908 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) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.09 L 0.05 HN Overlap>> 1.I111 1.I111 C Shift Assignments>> CA :: 57.549 CB :: 39.423 CG :: 25.976 CD1 :: 27.111 CD2 :: 20.033 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 :: 7.759 HA :: 3.545 HB2 :: 1.456 HB3 :: 1.456 HG :: 1.080 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 HD21 :: -0.211 HD22 :: -0.211 HD23 :: -0.211 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 :: 120.489 Ave N Shift Values>> N :: 121.86(3.9) 1.K124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.39 R 0.06 C Shift Assignments>> C :: 179.285 CA :: 60.356 CB :: 31.943 CG :: 25.833 CD :: 29.032 CE :: 41.459 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 :: 7.979 HA :: 3.740 HB2 :: 1.875 HB3 :: 1.875 HG2 :: 1.632 HG3 :: 1.374 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.817 HE3 :: 2.817 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 :: 116.365 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.587 CA :: 61.112 CB :: 62.584 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.017 HA :: 4.247 HB2 :: 4.036 HB3 :: 4.036 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 :: 114.854 Ave N Shift Values>> N :: 116.28(3.52) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 C Shift Assignments>> C :: 180.026 CA :: 57.784 CB :: 41.761 CG :: 26.298 CD1 :: 24.985 CD2 :: 23.166 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 :: 8.201 HA :: 4.012 HB2 :: 1.818 HB3 :: 1.337 HG :: 1.768 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 122.218 Ave N Shift Values>> N :: 121.86(3.9) 1.M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 178.964 CA :: 57.483 CB :: 32.061 CG :: 30.997 CE :: 16.318 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 :: 8.401 HA :: 4.274 HB2 :: 2.212 HB3 :: 2.440 HG2 :: 1.992 HG3 :: 2.117 HE1 :: 1.692 HE2 :: 1.692 HE3 :: 1.692 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 :: 116.961 Ave N Shift Values>> N :: 120.09(3.57) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.01 I 0.01 HN Overlap>> 1.I155 1.L8 1.I155 1.L8 C Shift Assignments>> C :: 178.527 CA :: 53.844 CB :: 17.997 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.849 HA :: 4.218 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.446 Ave N Shift Values>> N :: 123.23(3.54) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.41 G 0.07 K 0.03 HN Overlap>> 1.S75 1.S75 C Shift Assignments>> C :: 176.145 CA :: 56.866 CB :: 30.598 CG :: 27.009 CD :: 43.500 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 :: 7.371 HA :: 4.177 HB2 :: 2.029 HB3 :: 1.932 HG2 :: 1.784 HG3 :: 1.784 HD2 :: 3.238 HD3 :: 3.176 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 :: 115.041 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.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.14 G 0.04 C Shift Assignments>> C :: 175.061 CA :: 56.673 CB :: 32.290 CG :: 27.442 CD :: 43.190 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 :: 7.831 HA :: 3.493 HB2 :: 1.854 HB3 :: 1.816 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.198 HD3 :: 3.198 HE :: 7.586 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 :: 113.267 NE :: 84.122 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.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.18 C Shift Assignments>> C :: 174.329 CA :: 60.236 CB :: 68.466 CG2 :: 21.740 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 :: 8.250 HA :: 4.328 HB :: 4.408 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 109.303 Ave N Shift Values>> N :: 115.42(4.75) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 HN Overlap>> 1.H85 1.H85 C Shift Assignments>> C :: 174.110 CA :: 53.801 CB :: 38.999 CD1 :: 133.402 CE1 :: 118.071 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 :: 6.777 HA :: 4.849 HB2 :: 2.753 HB3 :: 2.753 HD1 :: 6.854 HD2 :: 6.854 HE1 :: 6.902 HE2 :: 6.902 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 :: 118.230 Ave N Shift Values>> N :: 120.52(4.2) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.17 G 0.05 R 0.03 A 0.02 C Shift Assignments>> C :: 176.100 CA :: 53.493 CB :: 42.903 CG :: 27.026 CD1 :: 25.003 CD2 :: 23.713 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 :: 8.986 HA :: 4.742 HB2 :: 1.775 HB3 :: 1.555 HG :: 1.739 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 HD21 :: 0.681 HD22 :: 0.681 HD23 :: 0.681 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 :: 121.508 Ave N Shift Values>> N :: 121.86(3.9) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.17 Q 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 175.249 CA :: 55.595 CB :: 31.018 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 :: 9.069 HA :: 4.573 HB2 :: 2.038 HB3 :: 1.985 HG2 :: 2.115 HG3 :: 2.297 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.556 Ave N Shift Values>> N :: 120.67(3.48) 1.W135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 C 0.35 HN Overlap>> 1.K163 1.K163 C Shift Assignments>> C :: 172.938 CA :: 53.378 CB :: 29.914 CD1 :: 128.368 CZ2 :: 113.261 CZ3 :: 121.413 CH2 :: 123.183 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 :: 7.899 HA :: 4.248 HB2 :: 3.035 HB3 :: 2.297 HD1 :: 6.866 HE1 :: 10.071 HE3 :: 6.901 HZ2 :: 7.629 HZ3 :: 6.434 HH2 :: 7.616 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 :: 128.108 NE1 :: 129.098 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.51 P 0.48 C Shift Assignments>> C :: 175.741 CA :: 61.263 CB :: 31.413 CG :: 26.347 CD :: 50.115 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 :: 4.258 HB2 :: 2.056 HB3 :: 1.593 HG2 :: 1.247 HG3 :: 1.611 HD2 :: 3.692 HD3 :: 2.179(S) 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.K137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.14 C Shift Assignments>> C :: 176.941 CA :: 57.355 CB :: 32.132 CG :: 24.805 CD :: 28.570 CE :: 41.743 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 :: 8.239 HA :: 3.775 HB2 :: 1.767 HB3 :: 1.720 HG2 :: 1.507 HG3 :: 1.423 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 3.040 HE3 :: 3.040 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 :: 122.414 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.28 K 0.15 Q 0.13 M 0.03 I 0.02 C Shift Assignments>> C :: 176.697 CA :: 55.638 CB :: 29.197 CG :: 35.854 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 :: 7.791 HA :: 4.234 HB2 :: 1.866 HB3 :: 1.950 HG2 :: 2.178 HG3 :: 2.310 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.144 Ave N Shift Values>> N :: 120.67(3.48) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.06 C Shift Assignments>> C :: 179.048 CA :: 59.755 CB :: 31.846 CG :: 25.114 CD :: 29.097 CE :: 41.737 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 :: 8.651 HA :: 3.588 HB2 :: 1.883 HB3 :: 1.883 HG2 :: 1.578 HG3 :: 1.439 HD2 :: 1.754 HD3 :: 1.754 HE2 :: 3.071 HE3 :: 3.071 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 :: 127.121 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.558 CA :: 60.247 CB :: 62.049 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.278 HB2 :: 4.046 HB3 :: 3.965 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) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.36 R 0.15 C Shift Assignments>> C :: 177.471 CA :: 55.890 CB :: 32.876 CG :: 25.328 CD :: 28.479 CE :: 41.937 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 :: 7.312 HA :: 4.535 HB2 :: 1.621 HB3 :: 2.054 HG2 :: 1.475 HG3 :: 1.342 HD2 :: 1.658 HE2 :: 2.952 HE3 :: 2.934 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 :: 119.859 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R142 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 R 0.31 G 0.08 K 0.03 HN Overlap>> 1.H121 1.H121 C Shift Assignments>> C :: 176.310 CA :: 59.786 CB :: 28.812 CG :: 28.471 CD :: 43.257 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 :: 7.691 HA :: 3.590 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 1.551 HG3 :: 0.563(S) HD2 :: 2.998 HD3 :: 2.998 HE :: 5.814 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 :: 120.781 NE :: 83.932 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.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 177.049 CA :: 47.403 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.601 HA2 :: 4.142 HA3 :: 4.071 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.778 Ave N Shift Values>> N :: 109.67(3.87) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.36 C Shift Assignments>> C :: 177.825 CA :: 57.018 CB :: 41.450 CG :: 26.565 CD1 :: 23.849 CD2 :: 23.964 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 :: 7.795 HA :: 4.243 HB2 :: 1.716 HB3 :: 1.716 HG :: 1.718 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.981 HD22 :: 0.981 HD23 :: 0.981 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.179 Ave N Shift Values>> N :: 121.86(3.9) 1.F145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.3 Y 0.29 C Shift Assignments>> C :: 177.051 CA :: 61.372 CB :: 38.011 CD1 :: 132.185 CE1 :: 130.644 CZ :: 127.777 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.277 HA :: 4.185 HB2 :: 2.886 HB3 :: 3.238 HD1 :: 6.561 HD2 :: 6.561 HE1 :: 6.680 HE2 :: 6.680 HZ :: 7.091 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.463 Ave N Shift Values>> N :: 120.45(4.18) 1.W146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 W 0.26 C Shift Assignments>> C :: 178.655 CA :: 59.196 CB :: 29.591 CD1 :: 130.221 CZ2 :: 115.702 CZ3 :: 120.484 CH2 :: 122.742 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 :: 8.341 HA :: 4.693 HB2 :: 3.339 HB3 :: 3.448 HD1 :: 7.405 HE1 :: 10.810 HE3 :: 7.650 HZ2 :: 7.667 HZ3 :: 6.954 HH2 :: 6.564 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 :: 118.734 NE1 :: 129.128 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 180.634 CA :: 55.183 CB :: 17.705 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.191 HA :: 4.158 HB1 :: 1.576 HB2 :: 1.576 HB3 :: 1.576 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.778 Ave N Shift Values>> N :: 123.23(3.54) 1.N148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.2 Y 0.15 E 0.14 F 0.11 M 0.05 D 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 177.869 CA :: 55.205 CB :: 37.397 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 :: 8.543 HA :: 4.488 HB2 :: 2.886 HB3 :: 2.630 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 :: 118.784 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 R 0.01 C Shift Assignments>> C :: 177.637 CA :: 57.599 CB :: 40.861 CG :: 26.798 CD1 :: 26.537 CD2 :: 23.766 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 :: 8.314 HA :: 3.948 HB2 :: 1.071 HB3 :: 1.825 HG :: 1.537 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.577 Ave N Shift Values>> N :: 121.86(3.9) 1.R150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.29 G 0.08 K 0.07 C Shift Assignments>> C :: 178.489 CA :: 60.153 CB :: 29.805 CG :: 28.715 CD :: 43.267 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 :: 8.420 HA :: 3.804 HB2 :: 2.022 HB3 :: 1.876 HG2 :: 1.530 HG3 :: 1.968 HD2 :: 3.219 HD3 :: 3.363 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.424 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.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 C 0.01 I 0.01 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 179.340 CA :: 54.213 CB :: 17.720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.758 HA :: 4.169 HB1 :: 1.547 HB2 :: 1.547 HB3 :: 1.547 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.194 Ave N Shift Values>> N :: 123.23(3.54) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.38 C 0.01 I 0.01 C Shift Assignments>> C :: 178.920 CA :: 53.871 CB :: 17.918 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.701 HA :: 4.215 HB1 :: 1.544 HB2 :: 1.544 HB3 :: 1.544 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.543 Ave N Shift Values>> N :: 123.23(3.54) 1.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 174.729 CA :: 62.472 CB :: 38.025 CG1 :: 27.046 CG2 :: 17.320 CD1 :: 14.543 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 :: 7.634 HA :: 4.225 HB :: 2.168 HG12 :: 1.712 HG13 :: 1.157 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 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 :: 112.808 Ave N Shift Values>> N :: 121.46(4.28) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.13 D 0.1 Y 0.1 F 0.08 E 0.03 L 0.02 M 0.02 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 174.796 CA :: 53.856 CB :: 38.113 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 :: 7.481 HA :: 4.544 HB2 :: 2.988 HB3 :: 2.800 HD21 :: 7.419 HD22 :: 6.757 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.564 ND2 :: 110.559 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 HN Overlap>> 1.A128 1.A128 C Shift Assignments>> C :: 174.375 CA :: 60.526 CB :: 39.356 CG1 :: 27.327 CG2 :: 16.973 CD1 :: 13.474 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 :: 7.815 HA :: 4.178 HB :: 1.579 HG12 :: 1.380 HG13 :: 0.914 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 HD11 :: 0.566 HD12 :: 0.566 HD13 :: 0.566 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 :: 121.524 Ave N Shift Values>> N :: 121.46(4.28) 1.K156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.16 C Shift Assignments>> C :: 175.979 CA :: 55.594 CB :: 32.207 CG :: 24.345 CD :: 28.689 CE :: 41.890 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 :: 8.168 HA :: 4.454 HB2 :: 1.814 HB3 :: 1.739 HG2 :: 1.474 HG3 :: 1.402 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 3.014 HE3 :: 3.014 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 :: 125.221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 A 0.07 C Shift Assignments>> C :: 177.250 CA :: 54.733 CB :: 41.703 CG :: 26.391 CD1 :: 22.681 CD2 :: 24.541 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 :: 8.412 HA :: 4.341 HB2 :: 1.610 HB3 :: 1.481 HG :: 1.412 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 HD21 :: 0.529 HD22 :: 0.529 HD23 :: 0.529 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 :: 125.206 Ave N Shift Values>> N :: 121.86(3.9) 1.T158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.265 CA :: 61.765 CB :: 69.443 CG2 :: 21.408 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 :: 8.049 HA :: 4.270 HB :: 4.210 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 113.613 Ave N Shift Values>> N :: 115.42(4.75) 1.E159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.29 Q 0.11 K 0.11 M 0.08 I 0.02 C Shift Assignments>> C :: 176.067 CA :: 56.222 CB :: 29.893 CG :: 35.848 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 :: 8.327 HA :: 4.309 HB2 :: 2.048 HB3 :: 1.946 HG2 :: 2.251 HG3 :: 2.251 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 :: 123.104 Ave N Shift Values>> N :: 120.67(3.48) 1.Q160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.29 C 0.22 M 0.07 R 0.05 E 0.03 C Shift Assignments>> C :: 175.293 CA :: 55.459 CB :: 29.160 CG :: 33.458 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.312 HA :: 4.283 HB2 :: 2.096 HB3 :: 1.964 HG2 :: 2.362 HG3 :: 2.362 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 :: 121.377 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> C :: 177.084 CA :: 52.159 CB :: 18.951 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.252 HA :: 4.291 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.083 Ave N Shift Values>> N :: 123.23(3.54) 1.K162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.14 HN Overlap>> 1.I60 1.I60 C Shift Assignments>> C :: 175.183 CA :: 55.890 CB :: 32.690 CG :: 24.283 CD :: 28.701 CE :: 41.891 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 :: 8.180 HA :: 4.305 HB2 :: 1.862 HB3 :: 1.748 HG2 :: 1.484 HG3 :: 1.431 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 3.008 HE3 :: 3.008 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.241 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.09 HN Overlap>> 1.W135 1.W135 C Shift Assignments>> C :: 180.855 CA :: 57.284 CB :: 33.449 CG :: 24.357 CD :: 28.809 CE :: 41.928 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 :: 7.901 HA :: 4.161 HB2 :: 1.813 HB3 :: 1.699 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 3.006 HE3 :: 3.006 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 :: 128.202 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 149 #Clerical: 0 #Suspicious: 14 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 162 #Suspicious: 1 C Shift Results: #Consistent: 729 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1173 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 160 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A16 HA = 5.862(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.7168e-04 1.S21 H = 10.586(S), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2881e-05 1.W27 HE1 = 6.136(S), Expected = 10.08, Std = 0.6600, ChiSquare = 2.2902e-09 1.W27 HZ2 = 6.019(S), Expected = 7.28, Std = 0.3300, ChiSquare = 1.3280e-04 1.W27 SRO Rule Break>> HE1 > HD1 : 0.993006993006993 1.W27 SRO Rule Break>> HE1 > HZ3 : 0.992378048780488 1.E31 HB2 = 0.708(S), Expected = 2.02, Std = 0.2100, ChiSquare = 4.1676e-10 1.N35 HB2 = 1.655(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.9469e-04 1.N35 HB3 = 1.655(S), Expected = 2.75, Std = 0.3300, ChiSquare = 9.0605e-04 1.Q42 H = 11.689(S), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1111e-09 1.C44 HB3 = 1.272(S), Expected = 2.89, Std = 0.4600, ChiSquare = 4.3581e-04 1.E82 HB2 = 0.922(S), Expected = 2.02, Std = 0.2100, ChiSquare = 1.7082e-07 1.W83 HD1 = 5.608(S), Expected = 7.14, Std = 0.3600, ChiSquare = 2.0853e-05 1.W83 HE1 = 12.389(S), Expected = 10.08, Std = 0.6600, ChiSquare = 4.6791e-04 1.Y86 HB3 = 1.093(S), Expected = 2.84, Std = 0.3900, ChiSquare = 7.4823e-06 1.L108 HD21 = -1.051(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1808e-10 1.L108 HD22 = -1.051(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1808e-10 1.L108 HD23 = -1.051(S), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1808e-10 1.P117 HB2 = 0.702(S), Expected = 2.08, Std = 0.3500, ChiSquare = 8.2458e-05 1.P136 HD3 = 2.179(S), Expected = 3.61, Std = 0.3900, ChiSquare = 2.4328e-04 1.R142 HG3 = 0.563(S), Expected = 1.54, Std = 0.2900, ChiSquare = 7.5451e-04