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: Indeterminable PRTL>> M 0.78 A 0.21 C Shift Assignments>> C :: 176.534 CA :: 55.75 CB :: 33.026 CG :: 32.138 CE :: 17.265 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>> HA :: 4.562 HB2 :: 2.060 HB3 :: 2.147 HG2 :: 2.53 HG3 :: 2.61 HE1 :: 2.166 HE2 :: 2.166 HE3 :: 2.166 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) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V55 1.V55 C Shift Assignments>> C :: 177.021 CA :: 62.709 CB :: 32.822 CG1 :: 21.0 CG2 :: 21.0 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 :: 8.215 HA :: 4.189 HB :: 2.16 HG11 :: 1.037 HG12 :: 1.037 HG13 :: 1.037 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.358 Ave N Shift Values>> N :: 121.14(4.54) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 R 0.01 HN Overlap>> 1.G56 1.G56 C Shift Assignments>> CA :: 45.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.55 HA2 :: 4.051 HA3 :: 4.05 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.524 Ave N Shift Values>> N :: 109.67(3.87) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.11 K 0.09 HN Overlap>> 1.R57 1.R57 C Shift Assignments>> C :: 176.599 CA :: 55.82 CB :: 31.179 CG :: 27.15 CD :: 43.419 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 :: 8.159 HA :: 4.44 HB2 :: 1.900 HB3 :: 1.838 HG2 :: 1.665 HG3 :: 1.665 HD2 :: 3.224 HD3 :: 3.224 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 :: 120.490 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.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.19 K 0.05 L 0.02 HN Overlap>> 1.R58 1.R58 C Shift Assignments>> CB :: 29.728 CG :: 26.489 CD :: 43.676 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 :: 8.522 HA :: 4.594 HB2 :: 2.007 HB3 :: 2.081 HD2 :: 3.354 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 :: 123.728 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.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.098 CA :: 63.632 CB :: 32.259 CG :: 27.751 CD :: 50.879 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 :: 4.550 HB2 :: 2.054 HB3 :: 2.408 HG2 :: 2.05 HG3 :: 2.05 HD2 :: 4.330 HD3 :: 4.204 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G60 1.G60 C Shift Assignments>> C :: 175.353 CA :: 45.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.615 HA2 :: 4.09 HA3 :: 4.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.847 Ave N Shift Values>> N :: 109.67(3.87) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G61 1.G61 C Shift Assignments>> C :: 175.236 CA :: 45.46 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.382 HA2 :: 4.07 HA3 :: 4.13 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.964 Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G62 1.G62 C Shift Assignments>> CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.533 HA2 :: 4.03 HA3 :: 4.03 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.175 Ave N Shift Values>> N :: 109.67(3.87) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.L63 1.L63 C Shift Assignments>> CA :: 56.244 CB :: 42.353 CG :: 27.117 CD1 :: 25.09 CD2 :: 23.3 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 :: 8.328 HA :: 4.312 HB2 :: 1.762 HB3 :: 1.647 HG :: 1.712 HD11 :: 0.98 HD12 :: 0.98 HD13 :: 0.98 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 121.467 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.02 HN Overlap>> 1.K64 1.K64 C Shift Assignments>> CA :: 57.220 CB :: 32.929 CG :: 24.870 CD :: 29.350 CE :: 42.421 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 :: 8.354 HA :: 4.415 HB2 :: 1.93 HB3 :: 1.99 HG2 :: 1.550 HG3 :: 1.550 HD2 :: 1.778 HD3 :: 1.778 HE2 :: 3.08 HE3 :: 3.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.917 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.3 K 0.18 R 0.06 Y 0.06 N 0.06 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 176.436 CA :: 54.4 CB :: 41.82 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 :: 8.187 HA :: 4.85 HB2 :: 2.86 HB3 :: 3.01 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 :: 118.931 Ave N Shift Values>> N :: 120.65(3.86) 1.T13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T66 1.T66 C Shift Assignments>> CA :: 60.358 CB :: 72.453 CG2 :: 20.656 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 :: 7.615 HA :: 4.256 HB :: 3.681 HG21 :: 0.317(S) HG22 :: 0.317(S) HG23 :: 0.317(S) 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 :: 107.789 Ave N Shift Values>> N :: 115.42(4.75) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.12 G 0.06 A 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> CA :: 52.486 CB :: 34.372 CG :: 24.732 CD :: 29.114 CE :: 42.416 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 :: 9.064 HA :: 4.952 HB2 :: 1.909 HB3 :: 1.657 HG2 :: 1.563 HG3 :: 1.465 HD2 :: 1.780 HD3 :: 1.775 HE2 :: 3.119 HE3 :: 3.059 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.891 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.155 CA :: 62.351 CB :: 33.036 CG :: 26.933 CD :: 50.446 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.867 HB3 :: 1.932 HG2 :: 2.325 HG3 :: 2.130 HD2 :: 3.747 HD3 :: 3.861 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.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V69 1.V69 C Shift Assignments>> C :: 174.696 CA :: 61.845 CB :: 34.265 CG1 :: 21.088 CG2 :: 21.156 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.112 HA :: 4.29 HB :: 2.054 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.670 Ave N Shift Values>> N :: 121.14(4.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 175.975 CA :: 62.616 CB :: 32.841 CG1 :: 22.008 CG2 :: 21.976 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 :: 8.338 HA :: 4.496 HB :: 1.994 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 125.650 Ave N Shift Values>> N :: 121.14(4.54) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 174.240 CA :: 59.832 CB :: 34.369 CG1 :: 20.135 CG2 :: 21.961 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.187 HA :: 4.480 HB :: 1.949 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 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 :: 127.579 Ave N Shift Values>> N :: 121.14(4.54) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.03 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 175.687 CA :: 54.233 CB :: 30.359 CG :: 26.91 CD :: 43.500 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.173 HA :: 4.703 HB2 :: 1.912 HB3 :: 1.797 HG2 :: 1.718 HG3 :: 1.718 HD2 :: 3.147 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 :: 125.708 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 A 0.13 L 0.12 HN Overlap>> 1.L73 1.L73 C Shift Assignments>> C :: 176.680 CA :: 52.960 CB :: 46.560 CD1 :: 23.286 CD2 :: 26.138 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 :: 8.255 HB2 :: 1.629 HB3 :: 1.916 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 122.019 Ave N Shift Values>> N :: 121.86(3.9) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.Y74 1.Y74 C Shift Assignments>> CA :: 58.93 CB :: 37.2 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.3 CE2 :: 118.3 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 :: 8.915 HA :: 4.65 HB2 :: 3.406 HB3 :: 2.604 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 6.82 HE2 :: 6.82 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 120.52(4.2) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.823 CA :: 67.002 CB :: 32.334 CG :: 28.589 CD :: 51.15 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 :: 4.295 HB2 :: 2.479 HB3 :: 2.05 HG2 :: 2.527 HG3 :: 2.117 HD2 :: 3.747 HD3 :: 3.945 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.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 D 0.18 L 0.12 I 0.1 N 0.1 E 0.01 HN Overlap>> 1.D76 1.D76 C Shift Assignments>> C :: 179.364 CA :: 56.871 CB :: 39.34 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 :: 9.15 HA :: 4.50 HB2 :: 2.86 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.907 Ave N Shift Values>> N :: 120.65(3.86) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.27 K 0.08 M 0.02 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 176.638 CA :: 58.5 CB :: 29.4 CG :: 36.88 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 :: 7.515 HA :: 4.11 HB2 :: 1.87 HB3 :: 1.84 HG2 :: 2.42 HG3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 178.317 CA :: 66.024 CB :: 37.613 CG1 :: 30.95 CG2 :: 17.32 CD1 :: 13.64 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 :: 7.85 HA :: 3.605 HB :: 2.071 HG12 :: 1.796 HG13 :: 0.859 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 119.2 Ave N Shift Values>> N :: 121.46(4.28) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.26 K 0.14 M 0.02 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 179.616 CA :: 59.550 CB :: 29.411 CG :: 36.011 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 :: 8.07 HA :: 4.056 HB2 :: 2.165 HB3 :: 2.167 HG2 :: 2.457 HG3 :: 2.457 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.181 Ave N Shift Values>> N :: 120.67(3.48) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.03 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> CA :: 55.27 CB :: 18.527 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.77 HA :: 4.26 HB1 :: 1.656 HB2 :: 1.656 HB3 :: 1.656 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.839 Ave N Shift Values>> N :: 123.23(3.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.03 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 179.223 CA :: 58.251 CB :: 42.454 CG :: 27.2 CD1 :: 25.302 CD2 :: 24.676 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 :: 8.39 HA :: 4.126 HB2 :: 1.958 HB3 :: 1.817 HG :: 1.771 HD11 :: 1.031 HD12 :: 1.031 HD13 :: 1.031 HD21 :: 1.093 HD22 :: 1.093 HD23 :: 1.093 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 :: 120.403 Ave N Shift Values>> N :: 121.86(3.9) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 G 0.01 HN Overlap>> 1.K82 1.K82 C Shift Assignments>> C :: 179.540 CA :: 60.333 CB :: 32.712 CG :: 26.135 CD :: 29.875 CE :: 42.050 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 :: 8.895 HA :: 3.858 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 1.519 HG3 :: 1.754 HD2 :: 1.785 HD3 :: 1.745 HE2 :: 2.985 HE3 :: 3.073 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 :: 118.430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> CA :: 60.922 CB :: 63.599 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.558 HA :: 4.383 HB2 :: 4.110 HB3 :: 4.110 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.985 Ave N Shift Values>> N :: 116.28(3.52) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.16 G 0.06 HN Overlap>> 1.R84 1.R84 C Shift Assignments>> CA :: 55.41 CB :: 31.352 CG :: 27.2 CD :: 43.052 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 :: 7.763 HA :: 4.417 HB2 :: 1.925 HB3 :: 2.285 HG2 :: 1.829 HG3 :: 1.829 HD2 :: 3.209 HD3 :: 3.301 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 :: 119.557 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.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> CA :: 61.133 CB :: 32.467 CG1 :: 21.79 CG2 :: 22.01 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 :: 7.034 HA :: 3.280 HB :: 1.97 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.674 Ave N Shift Values>> N :: 121.14(4.54) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.841 CB :: 32.622 CG :: 27.506 CD :: 51.690 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 :: 4.512 HB2 :: 2.488 HB3 :: 2.081 HG2 :: 2.11 HG3 :: 2.228 HD2 :: 4.053 HD3 :: 3.346 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.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 HN Overlap>> 1.A87 1.I46 1.I99 1.A87 1.I46 1.I99 C Shift Assignments>> C :: 179.218 CA :: 53.93 CB :: 18.533 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 :: 4.227 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.917 Ave N Shift Values>> N :: 123.23(3.54) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 Y 0.15 D 0.11 E 0.08 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.N88 1.N88 C Shift Assignments>> C :: 174.797 CA :: 54.245 CB :: 37.830 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 :: 8.684 HA :: 4.594 HB2 :: 3.005 HB3 :: 3.12 HD21 :: 6.966 HD22 :: 7.685 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.379 ND2 :: 113.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T89 1.T89 C Shift Assignments>> CA :: 61.487 CB :: 71.101 CG2 :: 20.573 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 :: 7.730 HA :: 4.635 HB :: 4.121 HG21 :: 1.469 HG22 :: 1.469 HG23 :: 1.469 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.490 Ave N Shift Values>> N :: 115.42(4.75) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S90 1.S90 C Shift Assignments>> CA :: 56.974 CB :: 65.755 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.622 HA :: 4.664 HB2 :: 4.476 HB3 :: 4.141 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.067 Ave N Shift Values>> N :: 116.28(3.52) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.08 V 0.07 HN Overlap>> 1.M91 1.M91 C Shift Assignments>> C :: 178.508 CA :: 59.967 CB :: 32.376 CE :: 16.866 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.125 HA :: 4.235 HB2 :: 2.21 HB3 :: 2.589 HE1 :: 2.233 HE2 :: 2.233 HE3 :: 2.233 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 :: 122.400 Ave N Shift Values>> N :: 120.09(3.57) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S92 1.S92 C Shift Assignments>> C :: 177.583 CA :: 62.0 CB :: 63.51 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.626 HA :: 4.18 HB2 :: 4.212 HB3 :: 4.076 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 :: 112.404 Ave N Shift Values>> N :: 116.28(3.52) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 I 0.03 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> CA :: 55.240 CB :: 18.761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.134 HA :: 4.289 HB1 :: 1.700 HB2 :: 1.700 HB3 :: 1.700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.445 Ave N Shift Values>> N :: 123.23(3.54) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.Y94 1.Y94 C Shift Assignments>> C :: 177.802 CA :: 62.030 CB :: 39.893 CD1 :: 132.7 CD2 :: 132.7 CE1 :: 119.0 CE2 :: 119.0 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 :: 8.480 HA :: 4.29 HB2 :: 3.251 HB3 :: 3.250 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 6.798 HE2 :: 6.798 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.110 Ave N Shift Values>> N :: 120.52(4.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I95 1.I95 C Shift Assignments>> C :: 178.148 CA :: 66.02 CB :: 37.624 CG1 :: 29.985 CG2 :: 18.327 CD1 :: 14.07 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 :: 8.726 HA :: 3.501 HB :: 1.950 HG12 :: 2.227 HG13 :: 0.808 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 118.174 Ave N Shift Values>> N :: 121.46(4.28) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 I 0.28 K 0.21 G 0.14 L 0.06 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 177.081 CA :: 60.97 CB :: 28.36 CD :: 43.059 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 :: 8.52 HA :: 3.77 HB2 :: 1.746 HB3 :: 2.11 HG2 :: 1.716 HG3 :: 1.716 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 :: 120.141 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.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.26 K 0.05 L 0.01 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 178.607 CA :: 59.609 CB :: 29.760 CG :: 26.530 CD :: 43.787 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 :: 7.668 HA :: 3.956 HB2 :: 2.06 HB3 :: 1.98 HG2 :: 1.762 HG3 :: 1.762 HD2 :: 3.245 HD3 :: 3.35 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 :: 118.718 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.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I98 1.I98 C Shift Assignments>> C :: 175.056 CA :: 65.095 CB :: 37.634 CG1 :: 27.38 CG2 :: 17.699 CD1 :: 13.836 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 :: 7.693 HA :: 3.612 HB :: 1.884 HG12 :: 1.156 HG13 :: 0.398 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 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 :: 118.487 Ave N Shift Values>> N :: 121.46(4.28) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A87 1.A87 1.I99 1.A34 1.I99 1.A34 C Shift Assignments>> C :: 178.004 CA :: 66.129 CB :: 38.012 CG1 :: 29.426 CG2 :: 17.660 CD1 :: 15.948 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 :: 8.405 HA :: 3.625 HB :: 2.196 HG12 :: 1.943 HG13 :: 0.931 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 122.0 Ave N Shift Values>> N :: 121.46(4.28) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.01 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> C :: 180.461 CA :: 58.596 CB :: 40.633 CG :: 26.917 CD1 :: 24.895 CD2 :: 21.560 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 :: 8.935 HA :: 4.054 HB2 :: 1.56 HB3 :: 1.929 HG :: 2.009 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 120.336 Ave N Shift Values>> N :: 121.86(3.9) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 N 0.22 E 0.11 D 0.11 I 0.06 L 0.04 M 0.04 HN Overlap>> 1.N101 1.N101 C Shift Assignments>> C :: 178.720 CA :: 56.083 CB :: 38.129 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 :: 8.34 HA :: 4.524 HB2 :: 2.912 HB3 :: 2.95 HD21 :: 6.915 HD22 :: 7.787 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.516 ND2 :: 111.00 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.H102 1.H102 C Shift Assignments>> C :: 177.294 CA :: 59.101 CB :: 29.310 CD2 :: 123.4 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.85 HA :: 4.544 HB2 :: 3.218 HB3 :: 3.714 HD2 :: 6.727 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.315 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.06 G 0.02 K 0.01 HN Overlap>> 1.L103 1.L103 C Shift Assignments>> C :: 178.471 CA :: 56.577 CB :: 42.060 CD1 :: 22.47 CD2 :: 25.659 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 :: 8.196 HA :: 4.055 HB2 :: 1.617 HB3 :: 2.069 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.173 Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.14 K 0.09 I 0.06 HN Overlap>> 1.E104 1.E104 C Shift Assignments>> CA :: 57.23 CB :: 30.26 CG :: 36.32 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 :: 7.75 HA :: 4.312 HB2 :: 2.204 HB3 :: 2.139 HG2 :: 2.396 HG3 :: 2.53 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 :: 117.196 Ave N Shift Values>> N :: 120.67(3.48) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 K 0.2 Y 0.08 N 0.06 R 0.04 HN Overlap>> 1.D105 1.D105 C Shift Assignments>> C :: 175.828 CA :: 54.871 CB :: 41.57 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 :: 7.827 HA :: 4.658 HB2 :: 2.77 HB3 :: 2.88 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 :: 120.128 Ave N Shift Values>> N :: 120.65(3.86) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.25 I 0.04 K 0.01 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> CA :: 58.02 CB :: 31.43 CG :: 36.72 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 :: 7.919 HA :: 4.22 HB2 :: 1.969 HB3 :: 2.118 HG2 :: 2.306 HG3 :: 2.306 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.725 Ave N Shift Values>> N :: 120.67(3.48) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.78 A 0.21 C Shift Assignments>> C :: 176.534 CA :: 55.75 CB :: 33.026 CG :: 32.138 CE :: 17.265 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>> HA :: 4.562 HB2 :: 2.060 HB3 :: 2.147 HG2 :: 2.53 HG3 :: 2.61 HE1 :: 2.166 HE2 :: 2.166 HE3 :: 2.166 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) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V2 1.V2 C Shift Assignments>> C :: 177.021 CA :: 62.709 CB :: 32.822 CG1 :: 21.0 CG2 :: 21.0 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 :: 8.215 HA :: 4.189 HB :: 2.16 HG11 :: 1.037 HG12 :: 1.037 HG13 :: 1.037 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.358 Ave N Shift Values>> N :: 121.14(4.54) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 R 0.01 HN Overlap>> 1.G3 1.G3 C Shift Assignments>> CA :: 45.39 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.55 HA2 :: 4.051 HA3 :: 4.05 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.524 Ave N Shift Values>> N :: 109.67(3.87) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.11 K 0.09 HN Overlap>> 1.R4 1.R4 C Shift Assignments>> C :: 176.599 CA :: 55.82 CB :: 31.179 CG :: 27.15 CD :: 43.419 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 :: 8.159 HA :: 4.44 HB2 :: 1.900 HB3 :: 1.838 HG2 :: 1.665 HG3 :: 1.665 HD2 :: 3.224 HD3 :: 3.224 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 :: 120.490 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.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.19 K 0.05 L 0.02 HN Overlap>> 1.R5 1.R5 C Shift Assignments>> CB :: 29.728 CG :: 26.489 CD :: 43.676 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 :: 8.522 HA :: 4.594 HB2 :: 2.007 HB3 :: 2.081 HD2 :: 3.354 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 :: 123.728 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.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.098 CA :: 63.632 CB :: 32.259 CG :: 27.751 CD :: 50.879 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 :: 4.550 HB2 :: 2.054 HB3 :: 2.408 HG2 :: 2.05 HG3 :: 2.05 HD2 :: 4.330 HD3 :: 4.204 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.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 HN Overlap>> 1.G7 1.G7 C Shift Assignments>> C :: 175.353 CA :: 45.26 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.615 HA2 :: 4.09 HA3 :: 4.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.847 Ave N Shift Values>> N :: 109.67(3.87) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G8 1.G8 C Shift Assignments>> C :: 175.236 CA :: 45.46 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.382 HA2 :: 4.07 HA3 :: 4.13 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.964 Ave N Shift Values>> N :: 109.67(3.87) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 HN Overlap>> 1.G9 1.G9 C Shift Assignments>> CA :: 45.5 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.533 HA2 :: 4.03 HA3 :: 4.03 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.175 Ave N Shift Values>> N :: 109.67(3.87) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> CA :: 56.244 CB :: 42.353 CG :: 27.117 CD1 :: 25.09 CD2 :: 23.3 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 :: 8.328 HA :: 4.312 HB2 :: 1.762 HB3 :: 1.647 HG :: 1.712 HD11 :: 0.98 HD12 :: 0.98 HD13 :: 0.98 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 121.467 Ave N Shift Values>> N :: 121.86(3.9) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.02 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> CA :: 57.220 CB :: 32.929 CG :: 24.870 CD :: 29.350 CE :: 42.421 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 :: 8.354 HA :: 4.415 HB2 :: 1.93 HB3 :: 1.99 HG2 :: 1.550 HG3 :: 1.550 HD2 :: 1.778 HD3 :: 1.778 HE2 :: 3.08 HE3 :: 3.080 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.917 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.3 K 0.18 R 0.06 Y 0.06 N 0.06 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 176.436 CA :: 54.4 CB :: 41.82 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 :: 8.187 HA :: 4.85 HB2 :: 2.86 HB3 :: 3.01 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 :: 118.931 Ave N Shift Values>> N :: 120.65(3.86) 1.T66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T13 1.T13 C Shift Assignments>> CA :: 60.358 CB :: 72.453 CG2 :: 20.656 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 :: 7.615 HA :: 4.256 HB :: 3.681 HG21 :: 0.317(S) HG22 :: 0.317(S) HG23 :: 0.317(S) 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 :: 107.789 Ave N Shift Values>> N :: 115.42(4.75) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.12 G 0.06 A 0.01 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> CA :: 52.486 CB :: 34.372 CG :: 24.732 CD :: 29.114 CE :: 42.416 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 :: 9.064 HA :: 4.952 HB2 :: 1.909 HB3 :: 1.657 HG2 :: 1.563 HG3 :: 1.465 HD2 :: 1.780 HD3 :: 1.775 HE2 :: 3.119 HE3 :: 3.059 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.891 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.155 CA :: 62.351 CB :: 33.036 CG :: 26.933 CD :: 50.446 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HB2 :: 1.867 HB3 :: 1.932 HG2 :: 2.325 HG3 :: 2.130 HD2 :: 3.747 HD3 :: 3.861 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.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V16 1.V16 C Shift Assignments>> C :: 174.696 CA :: 61.845 CB :: 34.265 CG1 :: 21.088 CG2 :: 21.156 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.112 HA :: 4.29 HB :: 2.054 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.670 Ave N Shift Values>> N :: 121.14(4.54) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V17 1.V17 C Shift Assignments>> C :: 175.975 CA :: 62.616 CB :: 32.841 CG1 :: 22.008 CG2 :: 21.976 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 :: 8.338 HA :: 4.496 HB :: 1.994 HG11 :: 0.830 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 125.650 Ave N Shift Values>> N :: 121.14(4.54) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 174.240 CA :: 59.832 CB :: 34.369 CG1 :: 20.135 CG2 :: 21.961 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.187 HA :: 4.480 HB :: 1.949 HG11 :: 0.926 HG12 :: 0.926 HG13 :: 0.926 HG21 :: 0.985 HG22 :: 0.985 HG23 :: 0.985 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 :: 127.579 Ave N Shift Values>> N :: 121.14(4.54) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.15 K 0.03 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 175.687 CA :: 54.233 CB :: 30.359 CG :: 26.91 CD :: 43.500 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.173 HA :: 4.703 HB2 :: 1.912 HB3 :: 1.797 HG2 :: 1.718 HG3 :: 1.718 HD2 :: 3.147 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 :: 125.708 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 A 0.13 L 0.12 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 176.680 CA :: 52.960 CB :: 46.560 CD1 :: 23.286 CD2 :: 26.138 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 :: 8.255 HB2 :: 1.629 HB3 :: 1.916 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 122.019 Ave N Shift Values>> N :: 121.86(3.9) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.Y21 1.Y21 C Shift Assignments>> CA :: 58.93 CB :: 37.2 CD1 :: 133.4 CD2 :: 133.4 CE1 :: 118.3 CE2 :: 118.3 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 :: 8.915 HA :: 4.65 HB2 :: 3.406 HB3 :: 2.604 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 6.82 HE2 :: 6.82 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 120.52(4.2) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.823 CA :: 67.002 CB :: 32.334 CG :: 28.589 CD :: 51.15 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 :: 4.295 HB2 :: 2.479 HB3 :: 2.05 HG2 :: 2.527 HG3 :: 2.117 HD2 :: 3.747 HD3 :: 3.945 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.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 D 0.18 L 0.12 I 0.1 N 0.1 E 0.01 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 179.364 CA :: 56.871 CB :: 39.34 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 :: 9.15 HA :: 4.50 HB2 :: 2.86 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.907 Ave N Shift Values>> N :: 120.65(3.86) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.27 K 0.08 M 0.02 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 176.638 CA :: 58.5 CB :: 29.4 CG :: 36.88 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 :: 7.515 HA :: 4.11 HB2 :: 1.87 HB3 :: 1.84 HG2 :: 2.42 HG3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 120.67(3.48) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I25 1.I25 C Shift Assignments>> C :: 178.317 CA :: 66.024 CB :: 37.613 CG1 :: 30.95 CG2 :: 17.32 CD1 :: 13.64 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 :: 7.85 HA :: 3.605 HB :: 2.071 HG12 :: 1.796 HG13 :: 0.859 HG21 :: 0.98 HG22 :: 0.98 HG23 :: 0.98 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 119.2 Ave N Shift Values>> N :: 121.46(4.28) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.26 K 0.14 M 0.02 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 179.616 CA :: 59.550 CB :: 29.411 CG :: 36.011 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 :: 8.07 HA :: 4.056 HB2 :: 2.165 HB3 :: 2.167 HG2 :: 2.457 HG3 :: 2.457 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.181 Ave N Shift Values>> N :: 120.67(3.48) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.44 I 0.03 HN Overlap>> 1.A27 1.A27 C Shift Assignments>> CA :: 55.27 CB :: 18.527 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.77 HA :: 4.26 HB1 :: 1.656 HB2 :: 1.656 HB3 :: 1.656 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.839 Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.12 G 0.03 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 179.223 CA :: 58.251 CB :: 42.454 CG :: 27.2 CD1 :: 25.302 CD2 :: 24.676 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 :: 8.39 HA :: 4.126 HB2 :: 1.958 HB3 :: 1.817 HG :: 1.771 HD11 :: 1.031 HD12 :: 1.031 HD13 :: 1.031 HD21 :: 1.093 HD22 :: 1.093 HD23 :: 1.093 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 :: 120.403 Ave N Shift Values>> N :: 121.86(3.9) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.35 G 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 179.540 CA :: 60.333 CB :: 32.712 CG :: 26.135 CD :: 29.875 CE :: 42.050 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 :: 8.895 HA :: 3.858 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 1.519 HG3 :: 1.754 HD2 :: 1.785 HD3 :: 1.745 HE2 :: 2.985 HE3 :: 3.073 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 :: 118.430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S30 1.S30 C Shift Assignments>> CA :: 60.922 CB :: 63.599 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.558 HA :: 4.383 HB2 :: 4.110 HB3 :: 4.110 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.985 Ave N Shift Values>> N :: 116.28(3.52) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.16 G 0.06 HN Overlap>> 1.R31 1.R31 C Shift Assignments>> CA :: 55.41 CB :: 31.352 CG :: 27.2 CD :: 43.052 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 :: 7.763 HA :: 4.417 HB2 :: 1.925 HB3 :: 2.285 HG2 :: 1.829 HG3 :: 1.829 HD2 :: 3.209 HD3 :: 3.301 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 :: 119.557 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.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> CA :: 61.133 CB :: 32.467 CG1 :: 21.79 CG2 :: 22.01 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 :: 7.034 HA :: 3.280 HB :: 1.97 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.812 HG22 :: 0.812 HG23 :: 0.812 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.674 Ave N Shift Values>> N :: 121.14(4.54) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.841 CB :: 32.622 CG :: 27.506 CD :: 51.690 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 :: 4.512 HB2 :: 2.488 HB3 :: 2.081 HG2 :: 2.11 HG3 :: 2.228 HD2 :: 4.053 HD3 :: 3.346 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.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.3 HN Overlap>> 1.I46 1.I99 1.A34 1.I46 1.I99 1.A34 C Shift Assignments>> C :: 179.218 CA :: 53.93 CB :: 18.533 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 :: 4.227 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.917 Ave N Shift Values>> N :: 123.23(3.54) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 Y 0.15 D 0.11 E 0.08 M 0.04 L 0.03 I 0.01 HN Overlap>> 1.N35 1.N35 C Shift Assignments>> C :: 174.797 CA :: 54.245 CB :: 37.830 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 :: 8.684 HA :: 4.594 HB2 :: 3.005 HB3 :: 3.12 HD21 :: 6.966 HD22 :: 7.685 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.379 ND2 :: 113.1 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.T36 1.T36 C Shift Assignments>> CA :: 61.487 CB :: 71.101 CG2 :: 20.573 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 :: 7.730 HA :: 4.635 HB :: 4.121 HG21 :: 1.469 HG22 :: 1.469 HG23 :: 1.469 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.490 Ave N Shift Values>> N :: 115.42(4.75) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> CA :: 56.974 CB :: 65.755 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.622 HA :: 4.664 HB2 :: 4.476 HB3 :: 4.141 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.067 Ave N Shift Values>> N :: 116.28(3.52) 1.M91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.08 V 0.07 HN Overlap>> 1.M38 1.M38 C Shift Assignments>> C :: 178.508 CA :: 59.967 CB :: 32.376 CE :: 16.866 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.125 HA :: 4.235 HB2 :: 2.21 HB3 :: 2.589 HE1 :: 2.233 HE2 :: 2.233 HE3 :: 2.233 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 :: 122.400 Ave N Shift Values>> N :: 120.09(3.57) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S39 1.S39 C Shift Assignments>> C :: 177.583 CA :: 62.0 CB :: 63.51 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.626 HA :: 4.18 HB2 :: 4.212 HB3 :: 4.076 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 :: 112.404 Ave N Shift Values>> N :: 116.28(3.52) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 I 0.03 HN Overlap>> 1.A40 1.A40 C Shift Assignments>> CA :: 55.240 CB :: 18.761 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.134 HA :: 4.289 HB1 :: 1.700 HB2 :: 1.700 HB3 :: 1.700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.445 Ave N Shift Values>> N :: 123.23(3.54) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.Y41 1.Y41 C Shift Assignments>> C :: 177.802 CA :: 62.030 CB :: 39.893 CD1 :: 132.7 CD2 :: 132.7 CE1 :: 119.0 CE2 :: 119.0 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 :: 8.480 HA :: 4.29 HB2 :: 3.251 HB3 :: 3.250 HD1 :: 6.99 HD2 :: 6.99 HE1 :: 6.798 HE2 :: 6.798 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.110 Ave N Shift Values>> N :: 120.52(4.2) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I42 1.I42 C Shift Assignments>> C :: 178.148 CA :: 66.02 CB :: 37.624 CG1 :: 29.985 CG2 :: 18.327 CD1 :: 14.07 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 :: 8.726 HA :: 3.501 HB :: 1.950 HG12 :: 2.227 HG13 :: 0.808 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 118.174 Ave N Shift Values>> N :: 121.46(4.28) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 I 0.28 K 0.21 G 0.14 L 0.06 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> C :: 177.081 CA :: 60.97 CB :: 28.36 CD :: 43.059 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 :: 8.52 HA :: 3.77 HB2 :: 1.746 HB3 :: 2.11 HG2 :: 1.716 HG3 :: 1.716 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 :: 120.141 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.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.26 K 0.05 L 0.01 HN Overlap>> 1.R44 1.R44 C Shift Assignments>> C :: 178.607 CA :: 59.609 CB :: 29.760 CG :: 26.530 CD :: 43.787 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 :: 7.668 HA :: 3.956 HB2 :: 2.06 HB3 :: 1.98 HG2 :: 1.762 HG3 :: 1.762 HD2 :: 3.245 HD3 :: 3.35 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 :: 118.718 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.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I45 1.I45 C Shift Assignments>> C :: 175.056 CA :: 65.095 CB :: 37.634 CG1 :: 27.38 CG2 :: 17.699 CD1 :: 13.836 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 :: 7.693 HA :: 3.612 HB :: 1.884 HG12 :: 1.156 HG13 :: 0.398 HG21 :: 0.576 HG22 :: 0.576 HG23 :: 0.576 HD11 :: 0.388 HD12 :: 0.388 HD13 :: 0.388 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 :: 118.487 Ave N Shift Values>> N :: 121.46(4.28) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A87 1.I46 1.A87 1.I46 1.A34 1.A34 C Shift Assignments>> C :: 178.004 CA :: 66.129 CB :: 38.012 CG1 :: 29.426 CG2 :: 17.660 CD1 :: 15.948 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 :: 8.405 HA :: 3.625 HB :: 2.196 HG12 :: 1.943 HG13 :: 0.931 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 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 :: 122.0 Ave N Shift Values>> N :: 121.46(4.28) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 A 0.01 HN Overlap>> 1.L47 1.L47 C Shift Assignments>> C :: 180.461 CA :: 58.596 CB :: 40.633 CG :: 26.917 CD1 :: 24.895 CD2 :: 21.560 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 :: 8.935 HA :: 4.054 HB2 :: 1.56 HB3 :: 1.929 HG :: 2.009 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 120.336 Ave N Shift Values>> N :: 121.86(3.9) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 N 0.22 E 0.11 D 0.11 I 0.06 L 0.04 M 0.04 HN Overlap>> 1.N48 1.N48 C Shift Assignments>> C :: 178.720 CA :: 56.083 CB :: 38.129 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 :: 8.34 HA :: 4.524 HB2 :: 2.912 HB3 :: 2.95 HD21 :: 6.915 HD22 :: 7.787 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.516 ND2 :: 111.00 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.H49 1.H49 C Shift Assignments>> C :: 177.294 CA :: 59.101 CB :: 29.310 CD2 :: 123.4 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.85 HA :: 4.544 HB2 :: 3.218 HB3 :: 3.714 HD2 :: 6.727 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.315 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.06 G 0.02 K 0.01 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 178.471 CA :: 56.577 CB :: 42.060 CD1 :: 22.47 CD2 :: 25.659 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 :: 8.196 HA :: 4.055 HB2 :: 1.617 HB3 :: 2.069 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 1.000 HD22 :: 1.000 HD23 :: 1.000 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.173 Ave N Shift Values>> N :: 121.86(3.9) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.14 K 0.09 I 0.06 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> CA :: 57.23 CB :: 30.26 CG :: 36.32 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 :: 7.75 HA :: 4.312 HB2 :: 2.204 HB3 :: 2.139 HG2 :: 2.396 HG3 :: 2.53 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 :: 117.196 Ave N Shift Values>> N :: 120.67(3.48) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.29 K 0.2 Y 0.08 N 0.06 R 0.04 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 175.828 CA :: 54.871 CB :: 41.57 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 :: 7.827 HA :: 4.658 HB2 :: 2.77 HB3 :: 2.88 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 :: 120.128 Ave N Shift Values>> N :: 120.65(3.86) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.25 I 0.04 K 0.01 HN Overlap>> 1.E53 1.E53 C Shift Assignments>> CA :: 58.02 CB :: 31.43 CG :: 36.72 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 :: 7.919 HA :: 4.22 HB2 :: 1.969 HB3 :: 2.118 HG2 :: 2.306 HG3 :: 2.306 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.725 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 0 C Shift Results: #Consistent: 434 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 744 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 100 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T13 HG21 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04 1.T13 HG22 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04 1.T13 HG23 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04 1.T66 HG21 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04 1.T66 HG22 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04 1.T66 HG23 = 0.317(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.4589e-04