Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.E1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 178.375 CA :: 63.767 CB :: 30.886 CG :: 27.337 CD :: 51.095 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.410 HB2 :: 1.987 HB3 :: 1.987 HD2 :: 3.678 HD3 :: 3.678 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.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.42 A 0.04 G 0.03 C Shift Assignments>> C :: 179.146 CA :: 58.339 CB :: 42.331 CG2 :: 17.739 CD1 :: 13.568 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 :: 7.432 HA :: 4.536 HB :: 1.383 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.681 HG22 :: 0.681 HG23 :: 0.681 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 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 :: 117.219 Ave N Shift Values>> N :: 121.46(4.28) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 R 0.14 W 0.14 E 0.13 H 0.13 K 0.09 M 0.08 Q 0.08 V 0.02 HN Overlap>> 1.C62 1.S63 1.C62 1.S63 C Shift Assignments>> C :: 176.563 CA :: 57.732 CB :: 30.994 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.649 HA :: 3.977 HB2 :: 3.122 HB3 :: 1.700 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 :: 125.214 Ave N Shift Values>> N :: 120.17(4.64) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.627 CA :: 61.188 CB :: 63.246 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.038 HA :: 4.033 HB2 :: 3.817 HB3 :: 3.578 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 :: 125.162 Ave N Shift Values>> N :: 116.28(3.52) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.36 C 0.2 L 0.02 K 0.01 C Shift Assignments>> C :: 176.944 CA :: 60.438 CB :: 40.057 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 :: 8.909 HA :: 4.402 HB2 :: 3.133 HB3 :: 3.133 HD1 :: 7.324 HD2 :: 7.324 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 :: 120.857 Ave N Shift Values>> N :: 120.45(4.18) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.16 M 0.11 R 0.1 W 0.09 V 0.08 H 0.08 Q 0.07 E 0.06 C Shift Assignments>> C :: 177.348 CA :: 58.542 CB :: 32.484 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.193 HA :: 4.950 HB2 :: 3.254 HB3 :: 2.916 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 :: 116.889 Ave N Shift Values>> N :: 120.17(4.64) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 L 0.16 A 0.02 C Shift Assignments>> C :: 177.769 CA :: 57.071 CB :: 38.065 CG :: 27.641 CD1 :: 22.517 CD2 :: 25.064 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 :: 8.078 HA :: 4.291 HB2 :: 2.144 HB3 :: 1.658 HG :: 1.391 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.860 Ave N Shift Values>> N :: 121.86(3.9) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 C Shift Assignments>> C :: 179.682 CA :: 43.393 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.083 HA2 :: 4.539 HA3 :: 4.436 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.164 Ave N Shift Values>> N :: 109.67(3.87) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.42 C Shift Assignments>> C :: 175.798 CA :: 60.287 CB :: 72.952 CG2 :: 21.519 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 :: 7.886 HA :: 4.911 HB :: 4.779 HG21 :: 1.311 HG22 :: 1.311 HG23 :: 1.311 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 :: 107.402 Ave N Shift Values>> N :: 115.42(4.75) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.46 R 0.02 C Shift Assignments>> C :: 176.739 CA :: 57.260 CB :: 31.418 CG :: 23.978 CE :: 41.884 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.323 HA :: 4.940 HB2 :: 1.929 HB3 :: 1.710 HG2 :: 1.455 HG3 :: 1.139 HE2 :: 2.976 HE3 :: 2.976 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 :: 120.544 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 M 0.06 I 0.05 K 0.04 Q 0.02 C Shift Assignments>> C :: 177.263 CA :: 57.289 CB :: 30.212 CG :: 36.738 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 :: 8.030 HA :: 4.178 HB2 :: 2.019 HB3 :: 1.709 HG2 :: 2.217 HG3 :: 2.217 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 :: 117.960 Ave N Shift Values>> N :: 120.67(3.48) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.33 Q 0.13 E 0.07 C Shift Assignments>> C :: 180.738 CA :: 55.303 CB :: 32.489 CG :: 34.294 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 :: 7.298 HA :: 3.930 HB2 :: 2.005 HB3 :: 1.813 HG2 :: 2.099 HG3 :: 2.099 HE21 :: 7.535 HE22 :: 6.760 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.536 NE2 :: 111.710 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 C 0.25 M 0.08 E 0.04 F 0.01 D 0.01 K 0.01 C Shift Assignments>> C :: 175.692 CA :: 51.233 CB :: 36.346 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 :: 8.693 HA :: 4.116 HB2 :: 2.868 HB3 :: 2.015 HD21 :: 8.235 HD22 :: 6.816 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 :: 124.282 ND2 :: 112.347 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.39 G 0.07 K 0.05 C Shift Assignments>> C :: 175.619 CA :: 59.703 CB :: 29.998 CG :: 27.994 CD :: 43.369 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 :: 8.074 HA :: 3.984 HB2 :: 1.731 HB3 :: 1.731 HG2 :: 1.663 HG3 :: 1.663 HD2 :: 3.211 HD3 :: 3.211 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 :: 119.114 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.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.34 K 0.08 M 0.04 Q 0.04 I 0.03 C Shift Assignments>> C :: 178.806 CA :: 55.302 CB :: 29.462 CG :: 36.611 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 :: 7.479 HA :: 4.330 HB2 :: 2.157 HB3 :: 1.820 HG2 :: 2.107 HG3 :: 2.107 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 :: 116.768 Ave N Shift Values>> N :: 120.67(3.48) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.31 R 0.08 K 0.07 C Shift Assignments>> C :: 178.780 CA :: 56.933 CB :: 28.448 CG :: 24.735 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 :: 8.141 HA :: 3.504 HB2 :: 2.117 HB3 :: 1.908 HG2 :: 1.581 HG3 :: 1.340 HD2 :: 1.193 HD3 :: 1.193 HE2 :: 2.923 HE3 :: 2.923 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 :: 113.528 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.26 C 0.23 R 0.05 M 0.05 E 0.03 C Shift Assignments>> C :: 180.241 CA :: 53.025 CB :: 33.783 CD :: 28.860 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 :: 7.704 HA :: 4.772 HB2 :: 1.760 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.909 HE3 :: 2.909 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.859 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P21 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>> CA :: 63.143 CB :: 31.879 CG :: 27.690 CD :: 50.224 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 :: 4.170 HB2 :: 2.213 HB3 :: 1.804 HG2 :: 2.029 HG3 :: 2.029 HD2 :: 3.726 HD3 :: 3.539 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.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.27 E 0.24 Q 0.12 K 0.02 C Shift Assignments>> C :: 180.423 CA :: 56.664 CB :: 31.525 CG :: 35.174 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 :: 8.153 HA :: 4.099 HB2 :: 1.898 HB3 :: 1.898 HG2 :: 2.671 HG3 :: 2.388 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.417 Ave N Shift Values>> N :: 120.67(3.48) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 Q 0.09 M 0.09 K 0.08 I 0.02 C Shift Assignments>> C :: 178.924 CA :: 56.785 CB :: 30.105 CG :: 35.967 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 :: 8.331 HA :: 4.095 HB2 :: 1.965 HB3 :: 1.965 HG2 :: 2.152 HG3 :: 2.152 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.253 Ave N Shift Values>> N :: 120.67(3.48) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.17 G 0.13 A 0.03 C Shift Assignments>> C :: 175.875 CA :: 53.774 CB :: 43.487 CD1 :: 25.776 CD2 :: 23.599 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 :: 8.134 HA :: 4.407 HB2 :: 1.508 HB3 :: 0.972 HG :: 1.235 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 HD21 :: -0.065 HD22 :: -0.065 HD23 :: -0.065 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 :: 116.619 Ave N Shift Values>> N :: 121.86(3.9) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 178.208 CA :: 59.563 CB :: 38.786 CG1 :: 26.730 CG2 :: 16.726 CD1 :: 12.712 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 :: 8.532 HA :: 4.328 HB :: 1.315 HG12 :: 0.988 HG13 :: 0.816 HG21 :: 0.214 HG22 :: 0.214 HG23 :: 0.214 HD11 :: 0.209 HD12 :: 0.209 HD13 :: 0.209 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 :: 121.137 Ave N Shift Values>> N :: 121.46(4.28) 1.S26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 180.829(S) CA :: 57.125 CB :: 65.532 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.551 HA :: 5.441 HB2 :: 3.627 HB3 :: 3.393 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 :: 118.669 Ave N Shift Values>> N :: 116.28(3.52) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.11 H 0.1 Q 0.06 V 0.06 K 0.05 M 0.04 I 0.03 C Shift Assignments>> C :: 175.619 CA :: 59.416 CB :: 30.642 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.173 HA :: 4.395 HB2 :: 3.349 HB3 :: 2.740 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 :: 127.734 Ave N Shift Values>> N :: 120.17(4.64) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.22 C 0.05 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 176.556 CA :: 54.665 CB :: 19.545 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.264 HA :: 4.107 HB1 :: 1.322 HB2 :: 1.322 HB3 :: 1.322 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.201 Ave N Shift Values>> N :: 123.23(3.54) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.28 F 0.08 C 0.06 D 0.06 G 0.06 K 0.06 C Shift Assignments>> C :: 176.623 CA :: 56.777 CB :: 43.468 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 :: 8.878 HA :: 4.833 HB2 :: 2.908 HB3 :: 2.653 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 :: 118.648 Ave N Shift Values>> N :: 120.65(3.86) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.15 V 0.11 M 0.1 W 0.08 R 0.08 Q 0.08 H 0.06 E 0.05 C Shift Assignments>> C :: 176.778 CA :: 59.007 CB :: 32.707 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.462 HA :: 4.907 HB2 :: 3.119 HB3 :: 2.505 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 :: 119.116 Ave N Shift Values>> N :: 120.17(4.64) 1.G31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 180.408(S) CA :: 46.126 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.611 HA2 :: 4.166 HA3 :: 3.818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.890 Ave N Shift Values>> N :: 109.67(3.87) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.22 F 0.17 C 0.14 L 0.08 I 0.01 E 0.01 C Shift Assignments>> C :: 177.177 CA :: 54.845 CB :: 39.021 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.045 HA :: 4.658 HB2 :: 3.087 HB3 :: 2.705 HD21 :: 7.783 HD22 :: 6.722 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.613 ND2 :: 112.606 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.74 T 0.25 C Shift Assignments>> C :: 180.053 CA :: 57.368 CB :: 66.815 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.878 HA :: 6.012(S) HB2 :: 3.769 HB3 :: 3.534 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 :: 118.377 Ave N Shift Values>> N :: 116.28(3.52) 1.G34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.69 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 C Shift Assignments>> C :: 180.702(S) CA :: 44.835 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.899 HA2 :: 5.512(S) HA3 :: 3.408 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.459 Ave N Shift Values>> N :: 109.67(3.87) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> C :: 178.842 CA :: 56.387 CB :: 30.567 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 :: 8.758 HA :: 4.979 HB2 :: 3.378 HB3 :: 3.296 HD2 :: 7.317 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 :: 124.158 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.62 P 0.21 C 0.1 I 0.04 C Shift Assignments>> CA :: 66.598 CB :: 31.311 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 :: 3.645 HB2 :: 2.582 HB3 :: 2.582 HG2 :: 2.050 HG3 :: 2.050 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.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 T 0.17 V 0.16 C 0.11 S 0.07 F 0.06 W 0.05 P 0.03 E 0.02 R 0.01 K 0.01 H 0.01 C Shift Assignments>> C :: 174.410 CA :: 61.053 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.455 HA :: 4.080 HB2 :: 3.715 HB3 :: 3.715 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.141 Ave N Shift Values>> N :: 116.28(3.52) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.22 V 0.15 P 0.1 W 0.06 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 177.170 CA :: 63.436 CB :: 29.452 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.098 HA :: 3.916 HB2 :: 3.053 HB3 :: 2.697 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 :: 125.662 Ave N Shift Values>> N :: 120.17(4.64) 1.L39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.49 L 0.25 C 0.21 R 0.01 I 0.01 C Shift Assignments>> C :: 178.690 CA :: 55.586 CB :: 41.140 CG :: 24.981 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 :: 7.540 HA :: 3.254 HB2 :: 0.688 HB3 :: 0.279(S) HG :: -0.040(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 :: 119.600 Ave N Shift Values>> N :: 121.86(3.9) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.4 K 0.08 R 0.06 C Shift Assignments>> C :: 177.204 CA :: 56.885 CB :: 28.150 CG :: 24.846 CE :: 42.010 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 :: 7.341 HA :: 3.681 HB2 :: 2.111 HB3 :: 1.881 HG2 :: 1.188 HG3 :: 1.188 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.927 HE3 :: 2.927 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 :: 111.997 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.14 C 0.12 F 0.08 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 176.599 CA :: 53.419 CB :: 38.367 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 :: 7.799 HA :: 4.912 HB2 :: 2.934 HB3 :: 2.812 HD1 :: 6.707 HD2 :: 6.707 HE1 :: 6.827 HE2 :: 6.827 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 :: 118.379 Ave N Shift Values>> N :: 120.45(4.18) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.449 CA :: 56.382 CB :: 62.474 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.507 HA :: 4.694 HB2 :: 4.400 HB3 :: 4.092 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 :: 120.314 Ave N Shift Values>> N :: 116.28(3.52) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 175.720 CA :: 66.068 CB :: 31.676 CD :: 50.560 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 :: 4.237 HB2 :: 2.367 HB3 :: 1.885 HG2 :: 2.196 HG3 :: 1.982 HD2 :: 3.916 HD3 :: 3.916 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.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.37 E 0.2 K 0.02 C Shift Assignments>> C :: 174.525 CA :: 60.126 CB :: 28.702 CG :: 37.011 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 :: 8.670 HA :: 3.947 HB2 :: 2.000 HB3 :: 1.883 HG2 :: 2.418 HG3 :: 2.215 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 :: 116.661 Ave N Shift Values>> N :: 120.67(3.48) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.41 R 0.07 C Shift Assignments>> C :: 175.452 CA :: 57.924 CB :: 41.611 CG :: 26.782 CD1 :: 24.803 CD2 :: 26.866 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 :: 7.775 HA :: 4.034 HB2 :: 1.559 HB3 :: 1.397 HG :: 0.723 HD11 :: 0.470 HD12 :: 0.470 HD13 :: 0.470 HD21 :: 0.154 HD22 :: 0.154 HD23 :: 0.154 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.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 178.469 CA :: 68.032 CB :: 67.965 CG2 :: 21.892 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 :: 8.117 HA :: 4.284 HB :: 3.458 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.509 Ave N Shift Values>> N :: 115.42(4.75) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 175.032 CA :: 66.232 CB :: 31.938 CG1 :: 22.523 CG2 :: 21.183 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 :: 7.192 HA :: 3.495 HB :: 2.046 HG11 :: 1.033 HG12 :: 1.033 HG13 :: 1.033 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 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 :: 117.059 Ave N Shift Values>> N :: 121.14(4.54) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.4 K 0.1 G 0.01 C Shift Assignments>> C :: 173.623 CA :: 59.080 CB :: 29.660 CG :: 27.643 CD :: 42.551 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 :: 7.274 HA :: 4.032 HB2 :: 1.994 HB3 :: 1.798 HG2 :: 1.761 HG3 :: 1.627 HD2 :: 3.223 HD3 :: 3.162 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 :: 119.052 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.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 175.012 CA :: 65.351 CB :: 31.125 CG1 :: 21.184 CG2 :: 21.837 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 :: 8.594 HA :: 3.788 HB :: 1.991 HG11 :: 0.644 HG12 :: 0.644 HG13 :: 0.644 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 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 :: 115.485 Ave N Shift Values>> N :: 121.14(4.54) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.36 R 0.1 C Shift Assignments>> C :: 176.505 CA :: 58.822 CB :: 32.331 CG :: 26.325 CD :: 29.447 CE :: 41.355 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 :: 7.561 HA :: 4.053 HB2 :: 1.905 HB3 :: 1.708 HG2 :: 1.737 HG3 :: 1.431 HD2 :: 1.589 HD3 :: 1.589 HE2 :: 2.776 HE3 :: 2.776 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.099 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.01 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 177.019 CA :: 51.498 CB :: 19.538 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.312 HA :: 4.564 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.885 Ave N Shift Values>> N :: 123.23(3.54) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.4 C 0.09 A 0.03 C Shift Assignments>> C :: 177.988 CA :: 53.270 CB :: 44.412 CD1 :: 23.719 CD2 :: 23.719 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 :: 7.573 HA :: 4.700 HB2 :: 1.766 HB3 :: 1.601 HG :: 1.959 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 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 :: 119.729 Ave N Shift Values>> N :: 121.86(3.9) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.17 K 0.14 H 0.13 C 0.12 W 0.1 L 0.09 E 0.09 R 0.08 M 0.02 I 0.01 C Shift Assignments>> C :: 178.852 CA :: 55.286 CB :: 28.297 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 :: 4.452 HB2 :: 1.540 HB3 :: 1.540 HG2 :: 1.343 HG3 :: 1.343 HD2 :: 3.081 HD3 :: 3.081 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.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.16 E 0.12 K 0.11 H 0.09 I 0.09 Q 0.09 R 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 179.085 CA :: 59.359 CB :: 29.381 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 :: 8.516 HA :: 4.428 HB2 :: 3.219 HB3 :: 3.064 HD1 :: 7.402 HE1 :: 11.516 HE3 :: 7.088 HZ2 :: 7.516 HZ3 :: 6.684 HH2 :: 6.893 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 :: 131.839 NE1 :: 131.742 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.25 K 0.12 P 0.1 H 0.08 R 0.07 W 0.03 Q 0.01 E 0.01 C Shift Assignments>> C :: 180.123 CA :: 52.232 CB :: 33.268 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 :: 7.617 HA :: 5.153 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 2.206 HG3 :: 2.206 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.273 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.14 H 0.13 W 0.13 E 0.13 Q 0.09 M 0.09 K 0.08 V 0.01 C Shift Assignments>> C :: 177.759 CA :: 57.285 CB :: 30.907 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.867 HA :: 3.856 HB2 :: 3.379 HB3 :: 2.536 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 :: 121.865 Ave N Shift Values>> N :: 120.17(4.64) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 177.086 CA :: 63.631 CB :: 38.314 CG1 :: 28.985 CG2 :: 17.765 CD1 :: 14.034 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 :: 8.394 HA :: 3.658 HB :: 1.831 HG12 :: 1.388 HG13 :: 1.171 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 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 :: 116.777 Ave N Shift Values>> N :: 121.46(4.28) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.37 I 0.13 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.124 CA :: 58.624 CB :: 29.914 CG :: 36.926 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 :: 8.004 HA :: 4.091 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 2.281 HG3 :: 2.281 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 :: 120.777 Ave N Shift Values>> N :: 120.67(3.48) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.22 W 0.12 P 0.1 R 0.06 E 0.05 H 0.04 I 0.04 K 0.04 M 0.02 Q 0.02 C Shift Assignments>> C :: 178.151 CA :: 61.122 CB :: 31.166 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.709 HA :: 3.894 HB2 :: 3.024 HB3 :: 2.491 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 :: 121.331 Ave N Shift Values>> N :: 120.17(4.64) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 V 0.06 R 0.01 C Shift Assignments>> C :: 177.499 CA :: 57.211 CB :: 31.819 CG :: 23.618 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 :: 7.389 HA :: 3.388 HB2 :: 1.616 HB3 :: 1.616 HG2 :: 1.325 HG3 :: 1.325 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 2.816 HE3 :: 2.816 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.4 A 0.01 C Shift Assignments>> C :: 180.560(S) CA :: 58.624 CB :: 71.649 CG2 :: 22.021 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 :: 7.894 HA :: 4.389 HB :: 3.922 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.564 Ave N Shift Values>> N :: 115.42(4.75) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 R 0.13 E 0.13 H 0.11 K 0.08 Q 0.07 M 0.07 V 0.04 I 0.01 HN Overlap>> 1.C6 1.C6 C Shift Assignments>> C :: 175.325 CA :: 58.449 CB :: 30.989 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.658 HA :: 3.909 HB2 :: 3.080 HB3 :: 3.080 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 :: 125.216 Ave N Shift Values>> N :: 120.17(4.64) 1.S63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 HN Overlap>> 1.C6 1.C6 C Shift Assignments>> C :: 179.926 CA :: 62.317 CB :: 64.532 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.606 HA :: 4.088 HB2 :: 3.628 HB3 :: 2.817(S) 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 :: 125.110 Ave N Shift Values>> N :: 116.28(3.52) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.673 CA :: 59.413 CB :: 64.262 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.711 HA :: 4.789 HB2 :: 4.140 HB3 :: 3.990 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 :: 117.213 Ave N Shift Values>> N :: 116.28(3.52) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.16 E 0.12 R 0.12 H 0.1 K 0.07 V 0.07 Q 0.06 M 0.05 I 0.02 C Shift Assignments>> CA :: 59.273 CB :: 30.931 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.218 HA :: 4.379 HB2 :: 3.159 HB3 :: 3.159 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 :: 119.141 Ave N Shift Values>> N :: 120.17(4.64) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 C 0.28 R 0.21 K 0.15 G 0.04 I 0.01 C Shift Assignments>> C :: 178.452 CA :: 56.760 CB :: 27.905 CD :: 43.130 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 :: 7.933 HA :: 4.103 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 1.488 HG3 :: 1.488 HD2 :: 3.110 HD3 :: 3.110 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 :: 120.652 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.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.24 R 0.15 K 0.13 F 0.05 C 0.04 N 0.03 G 0.01 HN Overlap>> 1.M101 1.M101 C Shift Assignments>> C :: 176.416 CA :: 54.013 CB :: 42.466 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 :: 8.327 HA :: 4.778 HB2 :: 3.015 HB3 :: 2.675 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 :: 120.976 Ave N Shift Values>> N :: 120.65(3.86) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.25 C 0.25 E 0.12 M 0.03 R 0.02 HN Overlap>> 1.M97 1.M97 C Shift Assignments>> C :: 176.734 CA :: 56.684 CB :: 29.126 CG :: 34.230 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.799 HA :: 4.241 HB2 :: 2.164 HB3 :: 1.977 HG2 :: 2.371 HG3 :: 2.371 HE21 :: 7.435 HE22 :: 6.798 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 :: 123.917 NE2 :: 112.563 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> C :: 179.239 CA :: 45.611 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.668 HA2 :: 3.985 HA3 :: 3.755 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.773 Ave N Shift Values>> N :: 109.67(3.87) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.18 C 0.15 Q 0.13 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 177.129 CA :: 55.910 CB :: 32.762 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 :: 7.737 HA :: 4.752 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 :: 120.537 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.14 C 0.12 F 0.09 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 178.244 CA :: 53.598 CB :: 38.361 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 :: 4.554 HB2 :: 2.834 HB3 :: 2.834 HD21 :: 7.579 HD22 :: 6.847 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 :: 112.233 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 175.867 CA :: 52.631 CB :: 18.932 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.436 HA :: 4.346 HB1 :: 1.399 HB2 :: 1.399 HB3 :: 1.399 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.026 Ave N Shift Values>> N :: 123.23(3.54) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 F 0.18 N 0.13 C 0.09 K 0.05 I 0.01 C Shift Assignments>> C :: 177.148 CA :: 55.237 CB :: 40.461 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 :: 8.329 HA :: 4.486 HB2 :: 2.645 HB3 :: 2.645 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.041 Ave N Shift Values>> N :: 120.65(3.86) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.14 C 0.1 F 0.05 L 0.03 M 0.01 C Shift Assignments>> C :: 179.306 CA :: 52.664 CB :: 38.477 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 :: 8.300 HA :: 4.708 HB2 :: 2.890 HB3 :: 2.890 HD21 :: 7.905 HD22 :: 6.912 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 :: 116.150 ND2 :: 113.301 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.21 Q 0.2 K 0.14 E 0.1 H 0.02 R 0.02 W 0.01 N 0.01 C Shift Assignments>> C :: 179.724 CA :: 55.470 CB :: 34.682 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 :: 7.618 HA :: 4.386 HB2 :: 1.634 HB3 :: 1.474 HG2 :: 1.903 HG3 :: 1.903 HE1 :: 1.704 HE2 :: 1.704 HE3 :: 1.704 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.303 Ave N Shift Values>> N :: 120.09(3.57) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.19 C 0.18 C Shift Assignments>> C :: 178.970 CA :: 53.491 CB :: 43.629 CD1 :: 24.659 CD2 :: 25.882 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 :: 8.360 HA :: 4.102 HB2 :: 0.916 HB3 :: 0.651 HD11 :: 0.092 HD12 :: 0.092 HD13 :: 0.092 HD21 :: -0.100 HD22 :: -0.100 HD23 :: -0.100 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 :: 125.212 Ave N Shift Values>> N :: 121.86(3.9) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 F 0.17 N 0.11 C 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 177.956 CA :: 55.228 CB :: 40.577 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 :: 8.196 HA :: 5.669 HB2 :: 2.939 HB3 :: 2.939 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 7.258 HE2 :: 7.258 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.908 Ave N Shift Values>> N :: 120.45(4.18) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.17 W 0.12 K 0.1 R 0.08 E 0.06 H 0.06 M 0.06 Q 0.02 P 0.02 C Shift Assignments>> C :: 174.789 CA :: 59.909 CB :: 31.958 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.346 HA :: 4.776 HB2 :: 2.876 HB3 :: 2.876 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 :: 125.155 Ave N Shift Values>> N :: 120.17(4.64) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.2 K 0.15 F 0.14 C 0.08 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 178.276 CA :: 57.913 CB :: 42.929 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.475 HA :: 4.620 HB2 :: 2.672 HB3 :: 2.672 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 :: 131.735 Ave N Shift Values>> N :: 120.65(3.86) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.316 CA :: 59.403 CB :: 63.466 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.715 HA :: 4.612 HB2 :: 4.043 HB3 :: 3.803 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 :: 116.429 Ave N Shift Values>> N :: 116.28(3.52) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.17 Q 0.14 M 0.12 V 0.09 R 0.06 W 0.05 H 0.05 E 0.03 C Shift Assignments>> C :: 179.797 CA :: 58.682 CB :: 33.336 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.070 HA :: 4.647 HB2 :: 3.046 HB3 :: 2.265 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 :: 118.698 Ave N Shift Values>> N :: 120.17(4.64) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.17 C 0.07 R 0.05 F 0.03 D 0.01 C Shift Assignments>> C :: 178.127 CA :: 57.283 CB :: 45.137 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 :: 8.112 HA :: 4.755 HB2 :: 3.113 HB3 :: 2.136 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 :: 120.561 Ave N Shift Values>> N :: 120.65(3.86) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.13 R 0.12 K 0.11 E 0.1 H 0.1 M 0.09 V 0.06 Q 0.05 C Shift Assignments>> C :: 177.351 CA :: 58.666 CB :: 31.591 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 :: 8.916 HA :: 4.041 HB2 :: 1.878 HB3 :: 1.878 HG2 :: 1.537 HG3 :: 1.537 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 :: 119.824 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.G84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.31 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 C Shift Assignments>> C :: 181.046(S) CA :: 44.108 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.056 HA2 :: 5.379(S) HA3 :: 2.892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.136 Ave N Shift Values>> N :: 109.67(3.87) 1.F85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.29 R 0.13 C 0.06 F 0.03 D 0.03 C Shift Assignments>> C :: 177.169 CA :: 56.048 CB :: 44.719 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 :: 8.705 HA :: 5.474 HB2 :: 2.863 HB3 :: 2.453 HD1 :: 7.180 HD2 :: 7.180 HE1 :: 7.226 HE2 :: 7.226 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 :: 119.000 Ave N Shift Values>> N :: 120.45(4.18) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.12 H 0.12 Q 0.1 K 0.08 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 175.027 CA :: 58.441 CB :: 30.009 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 :: 8.755 HA :: 4.661 HB2 :: 3.906 HB3 :: 3.465 HD2 :: 7.154 HE1 :: 7.618 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 :: 122.062 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 M 0.17 Q 0.03 C Shift Assignments>> C :: 174.913 CA :: 61.039 CB :: 32.635 CG :: 32.581 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 :: 8.946 HA :: 3.849 HB2 :: 2.164 HB3 :: 1.946 HG2 :: 2.511 HG3 :: 2.511 HE1 :: 1.429 HE2 :: 1.429 HE3 :: 1.429 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 :: 124.713 Ave N Shift Values>> N :: 120.09(3.57) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.17 K 0.08 Q 0.03 C Shift Assignments>> C :: 176.818 CA :: 58.340 CB :: 28.537 CG :: 36.431 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 :: 9.868 HA :: 4.237 HB2 :: 2.105 HB3 :: 2.105 HG2 :: 2.484 HG3 :: 2.354 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 :: 115.775 Ave N Shift Values>> N :: 120.67(3.48) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.16 V 0.12 E 0.09 R 0.09 H 0.07 K 0.05 I 0.04 Q 0.04 M 0.03 P 0.02 C Shift Assignments>> C :: 177.626 CA :: 60.264 CB :: 30.836 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.795 HA :: 4.378 HB2 :: 3.448 HB3 :: 3.107 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 :: 118.568 Ave N Shift Values>> N :: 120.17(4.64) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.23 W 0.14 E 0.06 K 0.06 V 0.04 H 0.04 R 0.04 Q 0.04 P 0.02 C Shift Assignments>> C :: 181.398 CA :: 61.151 CB :: 29.148 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.903 HA :: 4.213 HB2 :: 3.009 HB3 :: 2.732 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 :: 119.120 Ave N Shift Values>> N :: 120.17(4.64) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.15 D 0.13 R 0.07 C 0.04 N 0.02 F 0.01 K 0.01 HN Overlap>> 1.R108 1.R108 C Shift Assignments>> CA :: 50.151 CB :: 43.224 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.886 HA :: 4.904 HB2 :: 2.658 HB3 :: 2.384 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.087 Ave N Shift Values>> N :: 120.65(3.86) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.59 C 0.4 C Shift Assignments>> CA :: 62.306 CB :: 32.939 CD :: 50.169 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 :: 5.148 HB2 :: 2.400 HB3 :: 2.400 HG2 :: 2.030 HG3 :: 2.030 HD2 :: 3.819 HD3 :: 3.819 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.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.442 CA :: 63.385 CB :: 32.020 CG :: 27.934 CD :: 50.171 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 :: 4.203 HB2 :: 2.223 HB3 :: 1.747 HG2 :: 2.036 HG3 :: 2.036 HD2 :: 3.591 HD3 :: 3.591 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.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.3 C 0.2 R 0.09 A 0.03 C Shift Assignments>> C :: 176.489 CA :: 53.747 CB :: 44.388 CG :: 27.402 CD1 :: 23.562 CD2 :: 26.586 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 :: 7.748 HA :: 4.633 HB2 :: 1.490 HB3 :: 1.450 HG :: 1.742 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.733 HD22 :: 0.733 HD23 :: 0.733 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 :: 122.426 Ave N Shift Values>> N :: 121.86(3.9) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 179.279 CA :: 61.422 CB :: 69.485 CG2 :: 21.633 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>> HA :: 4.311 HB :: 4.302 HG21 :: 1.103 HG22 :: 1.103 HG23 :: 1.103 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) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.35 K 0.18 G 0.08 HN Overlap>> 1.A51 1.A51 C Shift Assignments>> C :: 178.617 CA :: 54.247 CB :: 32.795 CG :: 26.131 CD :: 43.221 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 :: 7.386 HA :: 4.409 HB2 :: 1.755 HB3 :: 1.628 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 3.142 HD3 :: 3.142 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 :: 119.963 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.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 H 0.16 C 0.15 R 0.15 W 0.09 K 0.09 Q 0.07 E 0.06 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 178.876 CA :: 53.493 CB :: 31.377 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 :: 8.747 HA :: 4.425 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 2.614 HG3 :: 2.566 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 :: 123.915 Ave N Shift Values>> N :: 120.09(3.57) 1.P98 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 :: 177.053 CA :: 62.852 CB :: 32.085 CG :: 27.255 CD :: 50.671 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 :: 4.413 HB2 :: 2.233 HB3 :: 1.725 HG2 :: 1.957 HG3 :: 1.957 HD2 :: 3.769 HD3 :: 3.632 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.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.36 R 0.11 C Shift Assignments>> C :: 176.428 CA :: 55.624 CB :: 32.934 CG :: 24.729 CD :: 28.900 CE :: 41.968 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 :: 8.439 HA :: 4.403 HB2 :: 1.781 HB3 :: 1.781 HG2 :: 1.405 HG3 :: 1.405 HD2 :: 1.664 HD3 :: 1.664 HE2 :: 2.957 HE3 :: 2.957 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 :: 121.496 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 C Shift Assignments>> C :: 180.490(S) CA :: 44.422 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.246 HA2 :: 3.974 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.749 Ave N Shift Values>> N :: 109.67(3.87) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.33 Q 0.2 E 0.04 K 0.02 HN Overlap>> 1.D67 1.D67 C Shift Assignments>> C :: 177.863 CA :: 56.367 CB :: 33.525 CG :: 31.859 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 :: 8.264 HA :: 4.424 HB2 :: 2.025 HB3 :: 1.953 HG2 :: 2.580 HG3 :: 2.462 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 :: 120.938 Ave N Shift Values>> N :: 120.09(3.57) 1.W102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.12 R 0.11 H 0.09 Q 0.06 V 0.06 K 0.04 I 0.04 M 0.03 C Shift Assignments>> C :: 180.941 CA :: 59.611 CB :: 30.463 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 :: 9.555 HA :: 4.562 HB2 :: 3.329 HB3 :: 2.893 HD1 :: 7.213 HE1 :: 9.666 HE3 :: 7.305 HZ3 :: 6.680 HH2 :: 6.371 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 :: 128.836 NE1 :: 128.289 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 I 0.44 A 0.05 C Shift Assignments>> C :: 178.370 CA :: 57.668 CB :: 39.435 CG1 :: 27.163 CG2 :: 18.811 CD1 :: 12.446 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 :: 6.871 HA :: 4.768 HB :: 1.287 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 0.740 HG22 :: 0.740 HG23 :: 0.740 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 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 :: 126.194 Ave N Shift Values>> N :: 121.46(4.28) 1.C104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.16 M 0.14 Q 0.14 K 0.13 V 0.04 I 0.02 H 0.02 R 0.01 W 0.01 F 0.01 C Shift Assignments>> C :: 178.670 CA :: 57.976 CB :: 34.859 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.208 HA :: 3.361 HB2 :: 2.725 HB3 :: 2.340 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 :: 132.227 Ave N Shift Values>> N :: 120.17(4.64) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.25 Q 0.23 R 0.18 M 0.04 C Shift Assignments>> C :: 177.272 CA :: 56.675 CB :: 27.957 CG :: 32.889 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 :: 7.881 HA :: 3.946 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.410 HG3 :: 2.410 HE21 :: 7.750 HE22 :: 6.921 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 :: 113.729 NE2 :: 113.221 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 175.190 CA :: 64.170 CB :: 37.521 CG1 :: 27.082 CG2 :: 17.398 CD1 :: 12.279 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 :: 8.785 HA :: 3.832 HB :: 2.195 HG12 :: 1.207 HG13 :: 1.207 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 HD11 :: 0.980 HD12 :: 0.980 HD13 :: 0.980 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.882 Ave N Shift Values>> N :: 121.46(4.28) 1.C107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 C 0.2 P 0.13 V 0.13 W 0.05 C Shift Assignments>> CA :: 63.763 CB :: 29.277 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.145 HA :: 3.759 HB2 :: 2.703 HB3 :: 2.590 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 :: 124.112 Ave N Shift Values>> N :: 120.17(4.64) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.28 G 0.14 K 0.02 HN Overlap>> 1.D91 1.D91 C Shift Assignments>> CA :: 53.726 CB :: 30.758 CG :: 26.803 CD :: 43.620 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 :: 7.926 HA :: 4.368 HB2 :: 1.548 HB3 :: 1.409 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 2.997 HD3 :: 2.997 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 :: 119.148 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.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 177.008 CA :: 63.475 CB :: 31.987 CG :: 27.257 CD :: 50.195 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 :: 4.479 HB2 :: 2.286 HB3 :: 1.840 HG2 :: 1.934 HG3 :: 1.934 HD2 :: 3.414 HD3 :: 3.414 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.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.39 K 0.13 G 0.04 C Shift Assignments>> C :: 172.240 CA :: 57.365 CB :: 31.206 CD :: 43.227 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 :: 8.135 HA :: 4.060 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.667 HG3 :: 1.667 HD2 :: 3.156 HD3 :: 3.156 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 :: 126.853 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 101 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 107 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 386 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 H Shift Results: #Consistent: 671 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S26 C = 180.829(S), Expected = 174.62, Std = 1.7200, ChiSquare = 3.0633e-04 1.G31 C = 180.408(S), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0581e-04 1.S33 HA = 6.012(S), Expected = 4.48, Std = 0.4000, ChiSquare = 1.2814e-04 1.G34 C = 180.702(S), Expected = 173.87, Std = 1.8800, ChiSquare = 2.7901e-04 1.G34 HA2 = 5.512(S), Expected = 3.97, Std = 0.3700, ChiSquare = 3.0787e-05 1.L39 HB3 = 0.279(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.6638e-04 1.L39 HG = -0.040(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.6405e-06 1.T61 C = 180.560(S), Expected = 174.54, Std = 1.7600, ChiSquare = 6.2517e-04 1.S63 HB3 = 2.817(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.3028e-04 1.G84 C = 181.046(S), Expected = 173.87, Std = 1.8800, ChiSquare = 1.3507e-04 1.G84 HA2 = 5.379(S), Expected = 3.97, Std = 0.3700, ChiSquare = 1.4003e-04 1.G100 C = 180.490(S), Expected = 173.87, Std = 1.8800, ChiSquare = 4.2947e-04