Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 K 0.29 E 0.19 Q 0.14 V 0.03 I 0.01 C Shift Assignments>> C :: 177.327 CA :: 56.02 CB :: 31.74 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.304 HA :: 4.558 HB2 :: 2.041 HB3 :: 2.046 HG2 :: 2.200 HG3 :: 2.196 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.41 Ave N Shift Values>> N :: 120.1(3.88) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.28 K 0.19 N 0.12 C Shift Assignments>> C :: 176.3 CA :: 54.80 CB :: 41.04 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.172 HA :: 4.707 HB2 :: 2.702 HB3 :: 2.702 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.438 Ave N Shift Values>> N :: 120.73(4.2) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.29 L 0.06 E 0.02 C Shift Assignments>> CA :: 53.60 CB :: 38.83 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.161 HA :: 4.753 HB2 :: 2.825 HB3 :: 2.825 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.157 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C Shift Assignments>> C :: 175.16 CA :: 53.06 CB :: 18.42 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.194 HA :: 4.267 HB1 :: 1.443 HB2 :: 1.443 HB3 :: 1.443 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.485 Ave N Shift Values>> N :: 123.23(3.7) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 179.821 CA :: 46.14 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.118 HA2 :: 3.952 HA3 :: 3.952 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.493 Ave N Shift Values>> N :: 109.91(4.29) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.1 C Shift Assignments>> C :: 174.83 CA :: 45.27 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.138 HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.232 Ave N Shift Values>> N :: 109.91(4.29) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 I 0.14 E 0.01 C Shift Assignments>> C :: 174.628 CA :: 63.68 CB :: 31.86 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.975 HA :: 3.979 HB :: 2.114 HG11 :: 0.974 HG12 :: 0.974 HG13 :: 0.974 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.10 Ave N Shift Values>> N :: 121.02(4.96) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.07 C Shift Assignments>> C :: 177.007 CA :: 46.05 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.450 HA2 :: 3.973 HA3 :: 3.973 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.427 Ave N Shift Values>> N :: 109.91(4.29) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.25 K 0.23 I 0.1 M 0.07 V 0.02 L 0.01 HN Overlap>> 1.K33 1.K33 1.I25 1.I25 C Shift Assignments>> C :: 175.175 CA :: 58.07 CB :: 29.52 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.022 HA :: 4.133 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 2.350 HG3 :: 2.350 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.11 Ave N Shift Values>> N :: 120.68(3.68) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 L 0.29 D 0.12 I 0.08 HN Overlap>> 1.Q19 1.K13 1.Q19 1.K13 C Shift Assignments>> C :: 178.545 CA :: 57.96 CB :: 41.53 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.287 HA :: 4.085 HB2 :: 1.586 HB3 :: 1.584 HG :: 1.500 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.1 Ave N Shift Values>> N :: 121.98(4.07) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 K 0.22 I 0.21 Q 0.2 M 0.04 V 0.03 L 0.01 C Shift Assignments>> C :: 178.621 CA :: 59.13 CB :: 29.12 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.388 HA :: 3.984 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.227 HG3 :: 2.227 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.74 Ave N Shift Values>> N :: 120.68(3.68) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 M 0.24 E 0.2 V 0.14 Q 0.09 I 0.03 C Shift Assignments>> C :: 178.208 CA :: 58.40 CB :: 31.99 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.781 HA :: 4.147 HB2 :: 1.884 HB3 :: 1.884 HG2 :: 1.466 HG3 :: 1.466 HD2 :: 1.590 HD3 :: 1.590 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.737 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.23 E 0.23 Q 0.12 V 0.11 I 0.03 HN Overlap>> 1.L10 1.Q19 1.L10 1.Q19 C Shift Assignments>> C :: 178.328 CA :: 58.17 CB :: 31.64 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.267 HA :: 4.156 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.492 HG3 :: 1.492 HD2 :: 1.718 HD3 :: 1.718 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.111 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 I 0.02 C Shift Assignments>> C :: 178.249 CA :: 54.38 CB :: 17.70 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.293 HA :: 4.059 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.212 Ave N Shift Values>> N :: 123.23(3.7) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.24 K 0.24 Q 0.21 I 0.19 M 0.03 L 0.02 V 0.02 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 180.219 CA :: 58.83 CB :: 28.94 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.654 HA :: 3.978 HB2 :: 2.132 HB3 :: 2.131 HG2 :: 2.380 HG3 :: 2.380 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.372 Ave N Shift Values>> N :: 120.68(3.68) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.45 I 0.01 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 177.618 CA :: 54.28 CB :: 18.15 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.962 HA :: 4.216 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.242 Ave N Shift Values>> N :: 123.23(3.7) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.09 C Shift Assignments>> C :: 178.25 CA :: 45.35 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.317 HA2 :: 3.929 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.760 Ave N Shift Values>> N :: 109.91(4.29) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 I 0.13 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 175.483 CA :: 64.88 CB :: 31.78 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.99 HA :: 3.929 HB :: 2.147 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.26 Ave N Shift Values>> N :: 121.02(4.96) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 Q 0.24 E 0.19 I 0.16 L 0.09 M 0.02 HN Overlap>> 1.L10 1.L10 1.K13 1.K13 C Shift Assignments>> C :: 177.182 CA :: 58.18 CB :: 28.15 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.282 HA :: 4.112 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.388 HG3 :: 2.388 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.075 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 178.167 CA :: 46.64 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.186 HA2 :: 3.917 HA3 :: 3.917 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.972 Ave N Shift Values>> N :: 109.91(4.29) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 K 0.22 I 0.21 Q 0.2 M 0.04 V 0.04 L 0.01 C Shift Assignments>> C :: 175.619 CA :: 59.14 CB :: 29.18 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.120 HA :: 4.106 HB2 :: 2.090 HB3 :: 2.079 HG2 :: 2.315 HG3 :: 2.315 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.274 Ave N Shift Values>> N :: 120.68(3.68) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 L 0.29 D 0.13 I 0.07 N 0.01 HN Overlap>> 1.I28 1.I28 C Shift Assignments>> C :: 178.037 CA :: 57.86 CB :: 41.61 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.954 HA :: 4.071 HB2 :: 1.750 HB3 :: 1.658 HG :: 1.658 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.406 Ave N Shift Values>> N :: 121.98(4.07) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.37 I 0.03 C Shift Assignments>> C :: 178.749 CA :: 54.96 CB :: 17.77 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.924 HA :: 3.939 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.834 Ave N Shift Values>> N :: 123.23(3.7) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 K 0.23 Q 0.22 I 0.16 M 0.05 V 0.03 L 0.01 C Shift Assignments>> C :: 180.315 CA :: 58.77 CB :: 29.30 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.141 HA :: 4.015 HB2 :: 2.127 HB3 :: 2.126 HG2 :: 1.981 HG3 :: 1.981 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.559 Ave N Shift Values>> N :: 120.68(3.68) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 V 0.06 HN Overlap>> 1.K33 1.E9 1.K33 1.E9 C Shift Assignments>> C :: 178.766 CA :: 65.12 CB :: 37.51 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.984 HA :: 3.717 HB :: 1.904 HG12 :: 1.269 HG13 :: 1.271 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.151 Ave N Shift Values>> N :: 121.6(4.72) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 K 0.18 E 0.15 M 0.14 I 0.07 Q 0.05 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> C :: 177.966 CA :: 60.01 CB :: 32.06 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.140 HA :: 3.908 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.525 HG3 :: 1.525 HD2 :: 1.696 HD3 :: 1.696 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.33 K 0.2 M 0.15 E 0.15 I 0.06 Q 0.06 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> CA :: 59.77 CB :: 32.12 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.554 HA :: 4.055 HB2 :: 1.740 HB3 :: 1.740 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 1.667 HD3 :: 1.665 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.519 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 V 0.04 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 179.392 CA :: 65.03 CB :: 37.81 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.907 HA :: 3.708 HB :: 2.016 HG12 :: 1.136 HG13 :: 1.123 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 121.6(4.72) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.31 I 0.04 C Shift Assignments>> C :: 178.102 CA :: 55.18 CB :: 17.41 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.509 HA :: 4.052 HB1 :: 1.468 HB2 :: 1.468 HB3 :: 1.468 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.521 Ave N Shift Values>> N :: 123.23(3.7) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.24 K 0.23 I 0.11 M 0.06 V 0.03 L 0.01 C Shift Assignments>> C :: 179.313 CA :: 58.28 CB :: 29.52 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.147 HA :: 4.027 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 2.229 HG3 :: 2.226 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.310 Ave N Shift Values>> N :: 120.68(3.68) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 M 0.24 E 0.21 V 0.13 Q 0.1 I 0.03 C Shift Assignments>> C :: 178.512 CA :: 58.37 CB :: 31.86 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.801 HA :: 4.190 HB2 :: 1.815 HB3 :: 1.732 HG2 :: 1.541 HG3 :: 1.541 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.349 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 V 0.21 K 0.19 M 0.17 Q 0.1 I 0.07 C Shift Assignments>> C :: 178.004 CA :: 59.25 CB :: 31.52 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.840 HA :: 4.164 HB2 :: 1.923 HB3 :: 1.923 HG2 :: 1.490 HG3 :: 1.490 HD2 :: 1.694 HD3 :: 1.694 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.929 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 M 0.25 E 0.18 V 0.13 Q 0.1 I 0.02 HN Overlap>> 1.E9 1.I25 1.E9 1.I25 C Shift Assignments>> C :: 178.529 CA :: 58.22 CB :: 32.13 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.986 HA :: 4.155 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.484 HG3 :: 1.507 HD2 :: 1.645 HD3 :: 1.665 HE2 :: 2.949 HE3 :: 2.949 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.176 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 L 0.3 D 0.27 N 0.05 I 0.04 C Shift Assignments>> C :: 177.408 CA :: 56.60 CB :: 40.94 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.969 HA :: 4.414 HB2 :: 2.829 HB3 :: 2.829 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.611 Ave N Shift Values>> N :: 120.73(4.2) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.29 K 0.24 N 0.07 I 0.06 C Shift Assignments>> C :: 177.729 CA :: 56.60 CB :: 40.61 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.088 HA :: 4.418 HB2 :: 2.812 HB3 :: 2.631 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.945 Ave N Shift Values>> N :: 120.73(4.2) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 I 0.16 C Shift Assignments>> C :: 177.979 CA :: 65.72 CB :: 31.40 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.851 HA :: 3.662 HB :: 2.192 HG11 :: 1.036 HG12 :: 1.036 HG13 :: 1.036 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.589 Ave N Shift Values>> N :: 121.02(4.96) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 I 0.14 HN Overlap>> 1.K26 1.K26 C Shift Assignments>> C :: 177.452 CA :: 66.46 CB :: 31.38 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.067 HA :: 3.601 HB :: 2.169 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.279 Ave N Shift Values>> N :: 121.02(4.96) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.32 K 0.21 M 0.16 E 0.16 Q 0.06 I 0.06 HN Overlap>> 1.E15 1.E15 C Shift Assignments>> C :: 177.156 CA :: 59.71 CB :: 32.13 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.653 HA :: 4.125 HB2 :: 1.912 HB3 :: 1.912 HG2 :: 1.532 HG3 :: 1.532 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.936 HE3 :: 2.936 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.330 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 V 0.02 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 178.272 CA :: 63.61 CB :: 38.06 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.548 HA :: 3.875 HB :: 2.018 HG12 :: 1.467 HG13 :: 1.467 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.520 Ave N Shift Values>> N :: 121.6(4.72) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 L 0.36 D 0.13 I 0.03 G 0.01 C Shift Assignments>> C :: 178.196 CA :: 57.33 CB :: 42.19 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.088 HA :: 4.131 HB2 :: 1.685 HB3 :: 1.685 HG :: 1.685 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.351 Ave N Shift Values>> N :: 121.98(4.07) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 E 0.01 V 0.01 C Shift Assignments>> C :: 179.084 CA :: 62.77 CB :: 38.45 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.073 HA :: 4.111 HB :: 2.014 HG12 :: 1.428 HG13 :: 1.428 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.433 Ave N Shift Values>> N :: 121.6(4.72) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.28 K 0.23 M 0.11 I 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 176.895 CA :: 56.84 CB :: 29.80 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.839 HA :: 4.369 HB2 :: 2.119 HB3 :: 2.119 HG2 :: 2.312 HG3 :: 2.308 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.764 Ave N Shift Values>> N :: 120.68(3.68) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 1 C Shift Assignments>> C :: 176.14 CA :: 63.77 CB :: 70.96 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.529 HA :: 4.281 HB :: 4.148 HG1 :: 4.753 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.309 Ave N Shift Values>> N :: 115.7(5.05) ########################################################################### Overall Results: #Consistent: 43 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 43 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 43 #Suspicious: 0 C Shift Results: #Consistent: 122 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 296 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 43 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0