Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.26 E 0.03 K 0.02 C Shift Assignments>> CA :: 55.479 CB :: 33.257 CG :: 32.073 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 :: 8.799 HA :: 4.621 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.350 HG3 :: 2.780 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 :: 129.736 Ave N Shift Values>> N :: 120.09(3.57) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.14 I 0.12 Q 0.09 M 0.05 C Shift Assignments>> CA :: 58.072 CB :: 29.613 CG :: 36.179 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 :: 9.049 HA :: 4.423 HB2 :: 2.197 HB3 :: 2.262 HG2 :: 2.479 HG3 :: 2.479 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.375 Ave N Shift Values>> N :: 120.67(3.48) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.26 F 0.1 Y 0.09 L 0.09 C Shift Assignments>> CA :: 53.651 CB :: 39.374 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 :: 8.265 HA :: 4.942 HB2 :: 3.120 HB3 :: 2.923 HD21 :: 7.754 HD22 :: 7.112 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.827 ND2 :: 113.075 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.03 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.275 CB :: 42.444 CG :: 26.773 CD1 :: 24.733 CD2 :: 24.103 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 :: 7.846 HA :: 4.512 HB2 :: 1.944 HB3 :: 1.758 HG :: 1.475 HD11 :: 1.152 HD12 :: 1.152 HD13 :: 1.152 HD21 :: 1.078 HD22 :: 1.078 HD23 :: 1.078 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 :: 121.207 Ave N Shift Values>> N :: 121.86(3.9) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.22 F 0.06 Y 0.06 L 0.06 HN Overlap>> 1.A25 1.A25 C Shift Assignments>> CA :: 52.737 CB :: 39.129 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 :: 7.963 HA :: 4.955 HB2 :: 3.163 HB3 :: 3.163 HD21 :: 7.761 HD22 :: 7.124 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 :: 120.224 ND2 :: 111.657 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.23 K 0.02 E 0.01 C Shift Assignments>> CA :: 56.729 CB :: 32.107 CG :: 32.599 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 :: 8.713 HA :: 4.521 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.909 HG3 :: 2.792 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.555 Ave N Shift Values>> N :: 120.09(3.57) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.29 D 0.12 L 0.12 I 0.07 K 0.03 N 0.02 C Shift Assignments>> CA :: 57.363 CB :: 40.132 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 :: 8.430 HA :: 4.725 HB2 :: 3.005 HB3 :: 2.944 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.122 Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 G 0.01 C Shift Assignments>> CA :: 57.898 CB :: 42.182 CG :: 26.773 CD1 :: 25.384 CD2 :: 24.885 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 :: 8.103 HA :: 4.399 HB2 :: 2.064 HB3 :: 1.889 HG :: 1.479 HD11 :: 1.237 HD12 :: 1.237 HD13 :: 1.237 HD21 :: 1.172 HD22 :: 1.172 HD23 :: 1.172 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 :: 120.728 Ave N Shift Values>> N :: 121.86(3.9) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CA :: 58.161 CB :: 41.227 CG :: 26.773 CD1 :: 24.473 CD2 :: 24.103 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 :: 7.743 HA :: 4.248 HB2 :: 2.007 HB3 :: 1.863 HG :: 1.493 HD11 :: 1.172 HD12 :: 1.172 HD13 :: 1.172 HD21 :: 1.066 HD22 :: 1.066 HD23 :: 1.066 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.886 Ave N Shift Values>> N :: 121.86(3.9) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 60.768 CB :: 37.524 CD1 :: 131.602 CE1 :: 117.642 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 :: 8.240 HA :: 4.527 HB2 :: 3.420 HB3 :: 3.359 HD1 :: 7.358 HD2 :: 7.358 HE1 :: 7.003 HE2 :: 7.003 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 :: 118.467 Ave N Shift Values>> N :: 120.52(4.2) 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 Q 0.17 E 0.01 K 0.01 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> CA :: 58.830 CB :: 32.638 CG :: 32.465 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 :: 8.236 HA :: 4.434 HB2 :: 2.423 HB3 :: 2.558 HG2 :: 2.795 HG3 :: 3.013 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 120.09(3.57) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.03 C Shift Assignments>> CA :: 55.308 CB :: 18.620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.531 HA :: 4.222 HB1 :: 1.737 HB2 :: 1.737 HB3 :: 1.737 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.005 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.04 C Shift Assignments>> CA :: 55.315 CB :: 18.262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.525 HA :: 4.188 HB1 :: 1.745 HB2 :: 1.745 HB3 :: 1.745 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.967 Ave N Shift Values>> N :: 123.23(3.54) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.04 C Shift Assignments>> CA :: 55.373 CB :: 18.165 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.142 HA :: 4.340 HB1 :: 1.767 HB2 :: 1.767 HB3 :: 1.767 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.535 Ave N Shift Values>> N :: 123.23(3.54) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.093 CB :: 31.759 CG1 :: 23.150 CG2 :: 21.612 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 :: 8.303 HA :: 3.988 HB :: 2.478 HG11 :: 1.356 HG12 :: 1.356 HG13 :: 1.356 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 119.583 Ave N Shift Values>> N :: 121.14(4.54) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 Q 0.24 E 0.03 K 0.01 C Shift Assignments>> CA :: 58.922 CB :: 32.520 CG :: 33.045 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 :: 8.487 HA :: 4.415 HB2 :: 2.312 HB3 :: 2.452 HG2 :: 2.873 HG3 :: 2.798 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.886 Ave N Shift Values>> N :: 120.09(3.57) 1.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.2 K 0.03 E 0.01 C Shift Assignments>> CA :: 58.738 CB :: 32.568 CG :: 32.073 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 :: 8.698 HA :: 4.441 HB2 :: 2.308 HB3 :: 2.308 HG2 :: 2.454 HG3 :: 2.335 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 :: 117.899 Ave N Shift Values>> N :: 120.09(3.57) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 HN Overlap>> 1.G33 1.G33 C Shift Assignments>> CA :: 47.197 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.296 HA2 :: 4.118 HA3 :: 4.218 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.740 Ave N Shift Values>> N :: 109.67(3.87) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.01 C Shift Assignments>> CA :: 57.615 CB :: 42.093 CG :: 26.653 CD1 :: 23.737 CD2 :: 23.732 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 :: 8.433 HA :: 4.432 HB2 :: 2.217 HB3 :: 1.747 HG :: 2.156 HD11 :: 1.132 HD12 :: 1.132 HD13 :: 1.132 HD21 :: 1.128 HD22 :: 1.128 HD23 :: 1.128 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 :: 122.524 Ave N Shift Values>> N :: 121.86(3.9) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.04 C Shift Assignments>> CA :: 55.466 CB :: 18.336 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.576 HA :: 4.222 HB1 :: 1.750 HB2 :: 1.750 HB3 :: 1.750 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.246 Ave N Shift Values>> N :: 123.23(3.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.46 I 0.03 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> CA :: 55.160 CB :: 18.495 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.109 HA :: 4.377 HB1 :: 1.814 HB2 :: 1.814 HB3 :: 1.814 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.863 Ave N Shift Values>> N :: 123.23(3.54) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.229 CB :: 38.267 CG1 :: 28.815 CG2 :: 17.686 CD1 :: 13.533 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 :: 7.962 HA :: 4.141 HB :: 2.278 HG12 :: 2.031 HG13 :: 1.479 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 HD11 :: 1.122 HD12 :: 1.122 HD13 :: 1.122 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.522 Ave N Shift Values>> N :: 121.46(4.28) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 P 0.04 L 0.04 A 0.04 N 0.01 C Shift Assignments>> CA :: 47.563 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.790 HA2 :: 3.949 HA3 :: 3.861 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.777 Ave N Shift Values>> N :: 109.67(3.87) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 I 0.03 C Shift Assignments>> CA :: 55.142 CB :: 18.784 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.693 HA :: 4.340 HB1 :: 1.731 HB2 :: 1.731 HB3 :: 1.731 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.654 Ave N Shift Values>> N :: 123.23(3.54) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 I 0.02 HN Overlap>> 1.N5 1.N5 C Shift Assignments>> CA :: 54.869 CB :: 18.525 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.954 HA :: 4.360 HB1 :: 1.803 HB2 :: 1.803 HB3 :: 1.803 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.222 Ave N Shift Values>> N :: 123.23(3.54) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> CA :: 63.416 CB :: 38.215 CG1 :: 28.572 CG2 :: 17.573 CD1 :: 13.413 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 :: 8.228 HA :: 4.233 HB :: 2.241 HG12 :: 1.988 HG13 :: 1.504 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 HD11 :: 1.086 HD12 :: 1.086 HD13 :: 1.086 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 :: 116.735 Ave N Shift Values>> N :: 121.46(4.28) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.196 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.484 HA2 :: 4.028 HA3 :: 4.137 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.353 Ave N Shift Values>> N :: 109.67(3.87) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.202 CB :: 38.027 CG1 :: 29.095 CG2 :: 17.886 CD1 :: 13.413 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 :: 8.611 HA :: 4.098 HB :: 2.159 HG12 :: 1.478 HG13 :: 1.905 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 HD11 :: 1.095 HD12 :: 1.095 HD13 :: 1.095 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 :: 120.694 Ave N Shift Values>> N :: 121.46(4.28) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.191 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.428 HA2 :: 4.117 HA3 :: 4.117 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.924 Ave N Shift Values>> N :: 109.67(3.87) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.571 CB :: 38.320 CG1 :: 27.653 CG2 :: 17.722 CD1 :: 13.413 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 :: 8.056 HA :: 4.252 HB :: 2.217 HG12 :: 1.474 HG13 :: 1.940 HG21 :: 1.168 HG22 :: 1.168 HG23 :: 1.168 HD11 :: 1.116 HD12 :: 1.116 HD13 :: 1.116 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 :: 121.222 Ave N Shift Values>> N :: 121.46(4.28) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.14 G 0.01 HN Overlap>> 1.V56 1.A21 1.V56 1.A21 C Shift Assignments>> CA :: 57.297 CB :: 42.182 CG :: 27.235 CD1 :: 25.716 CD2 :: 23.675 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 :: 8.188 HA :: 4.395 HB2 :: 2.071 HB3 :: 1.823 HG :: 1.489 HD11 :: 1.189 HD12 :: 1.189 HD13 :: 1.189 HD21 :: 1.116 HD22 :: 1.116 HD23 :: 1.116 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 :: 119.892 Ave N Shift Values>> N :: 121.86(3.9) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 47.022 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.527 HA2 :: 4.161 HA3 :: 4.161 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.255 Ave N Shift Values>> N :: 109.67(3.87) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 HN Overlap>> 1.G18 1.G18 C Shift Assignments>> CA :: 47.054 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.311 HA2 :: 4.161 HA3 :: 4.243 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.788 Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.27 G 0.01 C Shift Assignments>> CA :: 58.233 CB :: 32.242 CG :: 24.913 CD :: 28.783 CE :: 42.110 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 :: 8.258 HA :: 4.434 HB2 :: 1.991 HB3 :: 2.108 HG2 :: 1.676 HG3 :: 1.676 HD2 :: 1.866 HD3 :: 1.866 HE2 :: 3.176 HE3 :: 3.176 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.914 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 Y 0.34 HN Overlap>> 1.L36 1.L36 C Shift Assignments>> CA :: 60.551 CB :: 39.240 CD1 :: 131.125 CE1 :: 131.125 CZ :: 129.113 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 :: 8.315 HA :: 4.634 HB2 :: 3.417 HB3 :: 3.417 HD1 :: 7.442 HD2 :: 7.442 HE1 :: 7.442 HE2 :: 7.442 HZ :: 6.934 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.398 Ave N Shift Values>> N :: 120.45(4.18) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.1 G 0.01 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> CA :: 57.242 CB :: 41.976 CG :: 28.023 CD1 :: 23.732 CD2 :: 24.831 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 :: 8.233 HA :: 4.284 HB2 :: 2.073 HB3 :: 1.875 HG :: 1.943 HD11 :: 1.126 HD12 :: 1.126 HD13 :: 1.126 HD21 :: 1.160 HD22 :: 1.160 HD23 :: 1.160 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 :: 119.434 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>> E 0.6 I 0.18 K 0.09 Q 0.05 M 0.05 C Shift Assignments>> CA :: 58.896 CB :: 29.839 CG :: 36.343 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 :: 8.186 HA :: 4.284 HB2 :: 2.309 HB3 :: 2.280 HG2 :: 2.582 HG3 :: 2.461 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 :: 119.295 Ave N Shift Values>> N :: 120.67(3.48) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.639 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.246 HA3 :: 4.107 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.392 Ave N Shift Values>> N :: 109.67(3.87) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 I 0.01 C Shift Assignments>> CA :: 54.118 CB :: 18.829 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.293 HA :: 4.301 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.928 Ave N Shift Values>> N :: 123.23(3.54) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C Shift Assignments>> CA :: 53.530 CB :: 19.238 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.032 HA :: 4.396 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.432 Ave N Shift Values>> N :: 123.23(3.54) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.14 K 0.1 C Shift Assignments>> CA :: 55.890 CB :: 30.909 CG :: 27.718 CD :: 43.608 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 :: 7.731 HA :: 4.570 HB2 :: 2.219 HB3 :: 2.080 HG2 :: 1.985 HG3 :: 1.907 HD2 :: 3.448 HD3 :: 3.448 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 :: 115.470 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.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.36 R 0.11 M 0.06 E 0.03 C Shift Assignments>> CA :: 54.111 CB :: 28.543 CG :: 33.513 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 :: 7.930 HA :: 4.872 HB2 :: 2.431 HB3 :: 2.245 HG2 :: 2.540 HG3 :: 2.657 HE21 :: 7.661 HE22 :: 6.895 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 :: 121.052 NE2 :: 109.826 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.560 CB :: 31.866 CG :: 27.545 CD :: 50.674 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 :: 4.641 HB2 :: 2.161 HB3 :: 2.542 HG2 :: 2.241 HG3 :: 2.241 HD2 :: 3.961 HD3 :: 3.961 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.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 F 0.15 N 0.14 Y 0.13 K 0.04 I 0.01 HN Overlap>> 1.I46 1.I46 C Shift Assignments>> CA :: 55.006 CB :: 40.411 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 :: 8.587 HA :: 4.855 HB2 :: 3.022 HB3 :: 2.879 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.765 Ave N Shift Values>> N :: 120.65(3.86) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 G 0.06 C Shift Assignments>> CB :: 42.873 CG :: 26.371 CD1 :: 25.856 CD2 :: 24.833 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 :: 8.031 HA :: 4.379 HB2 :: 1.990 HB3 :: 1.937 HG :: 1.487 HD11 :: 1.144 HD12 :: 1.144 HD13 :: 1.144 HD21 :: 1.171 HD22 :: 1.171 HD23 :: 1.171 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 :: 121.604 Ave N Shift Values>> N :: 121.86(3.9) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> CA :: 62.037 CB :: 34.304 CG1 :: 27.653 CG2 :: 17.736 CD1 :: 12.051 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 :: 8.597 HA :: 4.121 HB :: 2.202 HG12 :: 1.505 HG13 :: 1.505 HG21 :: 1.121 HG22 :: 1.121 HG23 :: 1.121 HD11 :: 1.116 HD12 :: 1.116 HD13 :: 1.116 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.823 Ave N Shift Values>> N :: 121.46(4.28) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.117 CB :: 31.091 CG :: 28.498 CD :: 50.272 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 :: 4.460 HB2 :: 2.112 HB3 :: 2.588 HG2 :: 2.196 HG3 :: 2.419 HD2 :: 3.908 HD3 :: 3.824 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.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 G 0.01 C Shift Assignments>> CA :: 58.416 CB :: 42.048 CG :: 27.548 CD1 :: 24.903 CD2 :: 24.903 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 :: 7.607 HA :: 4.463 HB2 :: 2.108 HB3 :: 2.073 HG :: 1.934 HD11 :: 1.181 HD12 :: 1.181 HD13 :: 1.181 HD21 :: 1.133 HD22 :: 1.133 HD23 :: 1.133 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.745 Ave N Shift Values>> N :: 121.86(3.9) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 G 0.01 C Shift Assignments>> CA :: 58.256 CB :: 42.124 CG :: 26.773 CD1 :: 23.665 CD2 :: 23.774 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 :: 8.531 HA :: 4.255 HB2 :: 2.198 HB3 :: 1.736 HG :: 2.077 HD11 :: 1.169 HD12 :: 1.169 HD13 :: 1.169 HD21 :: 1.088 HD22 :: 1.088 HD23 :: 1.088 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 :: 120.586 Ave N Shift Values>> N :: 121.86(3.9) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 G 0.24 K 0.09 C Shift Assignments>> CA :: 60.244 CB :: 30.711 CG :: 28.164 CD :: 43.608 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 :: 8.706 HA :: 4.090 HB2 :: 2.263 HB3 :: 2.089 HG2 :: 1.867 HG3 :: 1.962 HD2 :: 3.440 HD3 :: 3.440 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.267 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.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.584 CB :: 69.418 CG2 :: 21.768 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 :: 8.220 HA :: 4.367 HB :: 4.668 HG21 :: 1.585 HG22 :: 1.585 HG23 :: 1.585 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 :: 113.041 Ave N Shift Values>> N :: 115.42(4.75) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.35 R 0.16 E 0.04 M 0.03 I 0.01 C Shift Assignments>> CA :: 57.703 CB :: 28.097 CG :: 33.513 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 :: 8.311 HA :: 4.501 HB2 :: 2.459 HB3 :: 2.314 HG2 :: 2.847 HG3 :: 2.485 HE21 :: 6.692 HE22 :: 6.901 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 :: 119.238 NE2 :: 106.334 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 Y 0.17 C Shift Assignments>> CA :: 61.488 CB :: 39.182 CD1 :: 130.724 CE1 :: 130.483 CZ :: 129.113 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.626 HA :: 4.322 HB2 :: 3.385 HB3 :: 3.385 HD1 :: 7.005 HD2 :: 7.005 HE1 :: 7.275 HE2 :: 7.275 HZ :: 6.934 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 :: 120.500 Ave N Shift Values>> N :: 120.45(4.18) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 Y 0.22 C Shift Assignments>> CA :: 61.526 CB :: 38.265 CD1 :: 131.114 CE1 :: 130.483 CZ :: 129.113 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 :: 8.150 HA :: 4.384 HB2 :: 3.437 HB3 :: 3.494 HD1 :: 7.659 HD2 :: 7.659 HE1 :: 7.644 HE2 :: 7.644 HZ :: 6.934 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 :: 116.452 Ave N Shift Values>> N :: 120.45(4.18) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.810 CB :: 38.037 CG1 :: 28.980 CG2 :: 17.125 CD1 :: 13.413 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 :: 7.956 HA :: 4.031 HB :: 2.297 HG12 :: 1.389 HG13 :: 1.949 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 HD11 :: 1.104 HD12 :: 1.104 HD13 :: 1.104 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 :: 122.654 Ave N Shift Values>> N :: 121.46(4.28) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> CA :: 66.422 CB :: 31.269 CG1 :: 23.118 CG2 :: 21.701 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 :: 8.168 HA :: 3.844 HB :: 2.336 HG11 :: 1.246 HG12 :: 1.246 HG13 :: 1.246 HG21 :: 1.112 HG22 :: 1.112 HG23 :: 1.112 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.993 Ave N Shift Values>> N :: 121.14(4.54) 1.M57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 Q 0.18 K 0.06 C Shift Assignments>> CA :: 57.666 CB :: 31.730 CG :: 32.073 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 :: 8.285 HA :: 4.381 HB2 :: 2.278 HB3 :: 2.109 HG2 :: 2.463 HG3 :: 2.463 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 :: 117.899 Ave N Shift Values>> N :: 120.09(3.57) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.833 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.972 HA2 :: 4.214 HA3 :: 4.118 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.203 Ave N Shift Values>> N :: 109.67(3.87) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 G 0.02 C Shift Assignments>> CA :: 57.113 CB :: 42.385 CG :: 26.773 CD1 :: 23.813 CD2 :: 23.744 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 :: 7.943 HA :: 4.513 HB2 :: 2.192 HB3 :: 1.832 HG :: 2.109 HD11 :: 1.113 HD12 :: 1.113 HD13 :: 1.113 HD21 :: 1.130 HD22 :: 1.130 HD23 :: 1.130 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 :: 122.085 Ave N Shift Values>> N :: 121.86(3.9) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.114 CB :: 31.836 CG1 :: 21.701 CG2 :: 21.368 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 :: 7.987 HA :: 4.003 HB :: 2.469 HG11 :: 1.282 HG12 :: 1.282 HG13 :: 1.282 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 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 :: 115.792 Ave N Shift Values>> N :: 121.14(4.54) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.2 Y 0.18 F 0.17 L 0.08 I 0.01 E 0.01 C Shift Assignments>> CA :: 54.922 CB :: 38.995 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 :: 8.060 HA :: 4.788 HB2 :: 3.072 HB3 :: 3.072 HD21 :: 7.692 HD22 :: 6.951 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.983 ND2 :: 110.713 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 M 0.06 L 0.02 C Shift Assignments>> CA :: 52.812 CB :: 19.968 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.982 HA :: 4.650 HB1 :: 1.747 HB2 :: 1.747 HB3 :: 1.747 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.750 CB :: 37.012 CG1 :: 28.944 CG2 :: 17.811 CD1 :: 13.413 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 :: 7.943 HA :: 4.301 HB :: 2.396 HG12 :: 2.078 HG13 :: 1.477 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 HD11 :: 1.132 HD12 :: 1.132 HD13 :: 1.132 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 :: 118.830 Ave N Shift Values>> N :: 121.46(4.28) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.326 CB :: 32.160 CG :: 28.427 CD :: 50.165 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 :: 4.631 HB2 :: 2.146 HB3 :: 2.201 HG2 :: 2.166 HG3 :: 2.407 HD2 :: 4.044 HD3 :: 3.926 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.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 Q 0.17 E 0.01 C Shift Assignments>> CA :: 58.386 CB :: 32.733 CG :: 32.666 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 :: 8.017 HA :: 4.444 HB2 :: 2.364 HB3 :: 2.263 HG2 :: 2.919 HG3 :: 2.832 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 :: 116.632 Ave N Shift Values>> N :: 120.09(3.57) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.M11 1.M11 C Shift Assignments>> CA :: 64.418 CB :: 38.033 CG1 :: 28.944 CG2 :: 17.725 CD1 :: 13.413 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 :: 8.270 HA :: 4.081 HB :: 2.241 HG12 :: 1.932 HG13 :: 1.448 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 HD11 :: 1.110 HD12 :: 1.110 HD13 :: 1.110 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 :: 120.148 Ave N Shift Values>> N :: 121.46(4.28) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 I 0.03 C Shift Assignments>> CA :: 55.219 CB :: 18.559 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.343 HA :: 4.273 HB1 :: 1.726 HB2 :: 1.726 HB3 :: 1.726 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.654 Ave N Shift Values>> N :: 123.23(3.54) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.093 CB :: 32.043 CG1 :: 22.922 CG2 :: 21.313 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.075 HA :: 4.001 HB :: 2.426 HG11 :: 1.314 HG12 :: 1.314 HG13 :: 1.314 HG21 :: 1.203 HG22 :: 1.203 HG23 :: 1.203 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.189 Ave N Shift Values>> N :: 121.14(4.54) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.04 A 0.03 P 0.03 C Shift Assignments>> CA :: 47.467 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.340 HA2 :: 4.061 HA3 :: 4.061 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.166 Ave N Shift Values>> N :: 109.67(3.87) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 G 0.01 C Shift Assignments>> CA :: 57.630 CB :: 42.048 CG :: 26.773 CD1 :: 24.733 CD2 :: 23.769 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 :: 8.551 HA :: 4.501 HB2 :: 2.074 HB3 :: 1.917 HG :: 1.890 HD11 :: 1.110 HD12 :: 1.110 HD13 :: 1.110 HD21 :: 1.140 HD22 :: 1.140 HD23 :: 1.140 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 :: 121.513 Ave N Shift Values>> N :: 121.86(3.9) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.345 HA2 :: 4.081 HA3 :: 4.081 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.720 Ave N Shift Values>> N :: 109.67(3.87) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.13 G 0.01 C Shift Assignments>> CA :: 57.555 CB :: 42.237 CG :: 26.959 CD1 :: 25.763 CD2 :: 23.467 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 :: 8.268 HA :: 4.380 HB2 :: 2.133 HB3 :: 1.744 HG :: 2.063 HD11 :: 1.158 HD12 :: 1.158 HD13 :: 1.158 HD21 :: 1.128 HD22 :: 1.128 HD23 :: 1.128 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 :: 121.296 Ave N Shift Values>> N :: 121.86(3.9) 1.Y73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 61.424 CB :: 38.690 CD1 :: 132.355 CE1 :: 117.813 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 :: 8.171 HA :: 4.462 HB2 :: 3.354 HB3 :: 3.494 HD1 :: 7.262 HD2 :: 7.262 HE1 :: 6.987 HE2 :: 6.987 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 :: 118.814 Ave N Shift Values>> N :: 120.52(4.2) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> CA :: 65.416 CB :: 32.086 CG1 :: 21.672 CG2 :: 21.590 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 :: 8.172 HA :: 3.913 HB :: 2.435 HG11 :: 1.324 HG12 :: 1.324 HG13 :: 1.324 HG21 :: 1.176 HG22 :: 1.176 HG23 :: 1.176 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.652 Ave N Shift Values>> N :: 121.14(4.54) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 Q 0.22 K 0.03 E 0.01 C Shift Assignments>> CA :: 58.182 CB :: 32.666 CG :: 32.073 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 :: 7.990 HA :: 4.310 HB2 :: 2.239 HB3 :: 2.122 HG2 :: 2.515 HG3 :: 2.679 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.312 Ave N Shift Values>> N :: 120.09(3.57) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.91 Y 0.08 C Shift Assignments>> CA :: 58.858 CB :: 39.865 CD1 :: 131.092 CE1 :: 128.783 CZ :: 129.113 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 :: 7.940 HA :: 4.792 HB2 :: 3.432 HB3 :: 3.185 HD1 :: 7.529 HD2 :: 7.529 HE1 :: 7.389 HE2 :: 7.389 HZ :: 6.934 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 :: 116.142 Ave N Shift Values>> N :: 120.45(4.18) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 L 0.01 C Shift Assignments>> CA :: 53.167 CB :: 19.512 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.165 HA :: 4.479 HB1 :: 1.446 HB2 :: 1.446 HB3 :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.066 Ave N Shift Values>> N :: 123.23(3.54) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.213 CB :: 32.809 CG1 :: 20.452 CG2 :: 20.519 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 :: 7.790 HA :: 4.386 HB :: 2.435 HG11 :: 1.148 HG12 :: 1.148 HG13 :: 1.148 HG21 :: 1.148 HG22 :: 1.148 HG23 :: 1.148 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 :: 115.832 Ave N Shift Values>> N :: 121.14(4.54) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.12 M 0.05 V 0.01 C Shift Assignments>> CA :: 53.837 CB :: 20.648 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.874 HA :: 4.351 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 133.921 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 261 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 575 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0