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 0.94 I 0.05 C Shift Assignments>> CB :: 30.922 CG :: 33.278 CE :: 16.856 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>> HB2 :: 2.582 HB3 :: 2.582 HG2 :: 2.121 HG3 :: 2.121 HE1 :: 2.092 HE2 :: 2.092 HE3 :: 2.092 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) 1.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.019 CA :: 63.290 CB :: 32.046 CG :: 27.169 CD :: 50.699 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.385 HB2 :: 2.280 HB3 :: 1.861 HG2 :: 2.031 HG3 :: 1.960 HD2 :: 3.876 HD3 :: 3.678 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 R 0.18 E 0.18 W 0.18 K 0.11 M 0.09 I 0.02 V 0.01 C Shift Assignments>> C :: 176.304 CA :: 56.677 CB :: 30.200 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 :: 8.679 HA :: 4.204 HB2 :: 1.939 HB3 :: 1.889 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 :: 120.944 Ave N Shift Values>> N :: 120.68(3.68) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.22 R 0.19 W 0.16 E 0.15 K 0.11 M 0.11 I 0.01 C Shift Assignments>> C :: 174.758 CA :: 55.382 CB :: 30.209 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.316 HA :: 4.692 HB2 :: 3.194 HB3 :: 3.085 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.089 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.19 G 0.13 C Shift Assignments>> C :: 176.320 CA :: 56.221 CB :: 31.141 CG :: 27.357 CD :: 43.514 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.325 HA :: 4.308 HB2 :: 1.859 HB3 :: 1.763 HG2 :: 1.590 HG3 :: 1.590 HD2 :: 3.200 HD3 :: 3.173 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.244 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.66 A 0.3 I 0.01 C Shift Assignments>> CA :: 55.111 CB :: 32.283 CE :: 17.317 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>> HA :: 4.500 HB2 :: 2.542 HB3 :: 2.542 HE1 :: 2.078 HE2 :: 2.078 HE3 :: 2.078 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) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.16 F 0.12 K 0.11 R 0.02 C Shift Assignments>> CA :: 54.360 CB :: 40.733 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 :: 8.411 HA :: 4.591 HB2 :: 2.716 HB3 :: 2.563 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 :: 120.796 Ave N Shift Values>> N :: 120.73(4.2) 1.T9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> C :: 179.086 CA :: 65.459 CB :: 37.413 CG1 :: 31.181 CG2 :: 17.329 CD1 :: 12.933 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>> HA :: 3.502 HB :: 1.679 HG12 :: 1.742 HG13 :: 0.822 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 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) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.653 CA :: 60.103 CB :: 62.743 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.641 HA :: 4.117 HB2 :: 3.979 HB3 :: 3.798 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.028 Ave N Shift Values>> N :: 116.3(3.95) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.03 G 0.01 C Shift Assignments>> C :: 176.777 CA :: 55.625 CB :: 33.441 CG :: 25.294 CD :: 28.995 CE :: 42.168 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 :: 7.395 HA :: 4.362 HB2 :: 2.081 HB3 :: 1.719 HG2 :: 1.513 HG3 :: 1.391 HD2 :: 1.691 HD3 :: 1.690 HE2 :: 2.995 HE3 :: 2.994 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 :: 120.043 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 R 0.39 G 0.05 A 0.04 C Shift Assignments>> C :: 176.668 CA :: 55.625 CB :: 42.600 CG :: 25.692 CD1 :: 27.788 CD2 :: 22.888 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 :: 7.311 HA :: 4.214 HB2 :: 1.800 HB3 :: 1.091 HG :: 2.040 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.814 HD22 :: 0.814 HD23 :: 0.814 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 :: 119.728 Ave N Shift Values>> N :: 121.98(4.07) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.52 E 0.43 K 0.02 C Shift Assignments>> C :: 175.617 CA :: 54.751 CB :: 32.136 CG :: 35.951 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>> HA :: 4.473 HB2 :: 2.040 HB3 :: 1.817 HG2 :: 2.394 HG3 :: 2.265 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) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.26 K 0.12 M 0.04 C Shift Assignments>> C :: 177.125 CA :: 58.601 CB :: 29.438 CG :: 36.508 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 :: 8.776 HA :: 3.612 HB2 :: 1.957 HB3 :: 1.956 HG2 :: 2.195 HG3 :: 2.195 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 :: 121.385 Ave N Shift Values>> N :: 120.68(3.68) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 HN Overlap>> 1.T101 1.T101 C Shift Assignments>> C :: 174.348 CA :: 45.061 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.806 HA2 :: 4.396 HA3 :: 3.753 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.244 Ave N Shift Values>> N :: 109.91(4.29) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.23 L 0.03 C Shift Assignments>> C :: 176.417 CA :: 52.856 CB :: 20.219 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.901 HA :: 4.322 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.742 Ave N Shift Values>> N :: 123.23(3.7) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.24 K 0.05 I 0.04 C Shift Assignments>> C :: 176.217 CA :: 55.172 CB :: 30.828 CG :: 36.907 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 :: 8.354 HA :: 5.402 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 2.132 HG3 :: 1.919 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 :: 122.948 Ave N Shift Values>> N :: 120.68(3.68) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 A 0.43 C Shift Assignments>> C :: 170.150 CA :: 57.585 CB :: 71.234 CG2 :: 19.437 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 :: 8.821 HA :: 5.251 HB :: 4.018 HG21 :: 0.959 HG22 :: 0.959 HG23 :: 0.959 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 :: 120.878 Ave N Shift Values>> N :: 115.7(5.05) 1.P20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.128 CA :: 62.769 CB :: 32.669 CG :: 27.138 CD :: 51.642 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.639(S) HB2 :: 2.282 HB3 :: 1.801 HG2 :: 2.034 HG3 :: 1.896 HD2 :: 4.074 HD3 :: 3.653 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 I 0.05 HN Overlap>> 1.G42 1.G42 C Shift Assignments>> C :: 172.903 CA :: 60.432 CB :: 35.603 CG1 :: 22.495 CG2 :: 20.525 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 :: 8.435 HA :: 4.576 HB :: 1.766 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 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 :: 114.583 Ave N Shift Values>> N :: 121.02(4.96) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 173.815 CA :: 60.403 CB :: 71.674 CG2 :: 21.139 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 :: 8.479 HA :: 5.573 HB :: 3.738 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 120.413 Ave N Shift Values>> N :: 115.7(5.05) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 R 0.01 C Shift Assignments>> C :: 170.276 CA :: 45.751 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.723 HA2 :: 4.091 HA3 :: 3.743 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.317 Ave N Shift Values>> N :: 109.91(4.29) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 K 0.27 G 0.1 C Shift Assignments>> C :: 176.758 CA :: 55.199 CB :: 31.611 CG :: 27.680 CD :: 43.310 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.239 HA :: 4.836 HB2 :: 1.811 HB3 :: 1.767 HG2 :: 1.417 HG3 :: 1.399 HD2 :: 3.213 HD3 :: 3.103 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.838 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.445 CA :: 63.822 CB :: 31.082 CG1 :: 22.554 CG2 :: 22.677 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 :: 9.394 HA :: 3.949 HB :: 2.457 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 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 :: 126.118 Ave N Shift Values>> N :: 121.02(4.96) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 A 0.17 C Shift Assignments>> C :: 176.858 CA :: 54.388 CB :: 31.632 CG :: 31.692 CE :: 15.675 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 :: 9.484 HA :: 4.729 HB2 :: 2.694 HB3 :: 2.518 HG2 :: 2.159 HG3 :: 2.159 HE1 :: 1.996 HE2 :: 1.996 HE3 :: 1.996 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 :: 129.001 Ave N Shift Values>> N :: 120.1(3.88) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 G 0.02 M 0.01 C Shift Assignments>> C :: 174.281 CA :: 55.898 CB :: 36.180 CG :: 24.711 CD :: 28.757 CE :: 42.032 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 :: 7.300 HA :: 4.613 HB2 :: 1.769 HB3 :: 1.611 HG2 :: 1.327 HG3 :: 1.306 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 2.964 HE3 :: 2.915 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 :: 116.975 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 0.99 C Shift Assignments>> C :: 175.771 CA :: 61.498 CB :: 40.859 CG1 :: 28.254 CG2 :: 17.429 CD1 :: 15.016 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 :: 9.205 HA :: 4.387 HB :: 1.652 HG12 :: 0.858 HG13 :: 1.448 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 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 :: 127.081 Ave N Shift Values>> N :: 121.6(4.72) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.014 CA :: 58.191 CB :: 64.994 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.565 HA :: 4.708 HB2 :: 4.223 HB3 :: 4.009 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.309 Ave N Shift Values>> N :: 116.3(3.95) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.633 CA :: 57.059 CB :: 62.667 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.389 HA :: 4.635 HB2 :: 3.914 HB3 :: 3.824 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.093 Ave N Shift Values>> N :: 116.3(3.95) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.173 CA :: 63.052 CB :: 32.129 CG :: 27.877 CD :: 50.693 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.790 HB2 :: 1.909 HB3 :: 1.830 HG2 :: 2.122 HG3 :: 1.662 HD2 :: 3.912 HD3 :: 3.605 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 G 0.25 K 0.17 C Shift Assignments>> C :: 175.343 CA :: 54.265 CB :: 33.089 CG :: 26.754 CD :: 43.597 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.325 HA :: 4.849 HB2 :: 1.882 HB3 :: 1.809 HG2 :: 1.701 HG3 :: 1.690 HD2 :: 3.231 HD3 :: 3.203 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.688 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.404 CA :: 61.911 CB :: 70.300 CG2 :: 22.164 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 :: 8.492 HA :: 5.089 HB :: 4.131 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 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 :: 116.819 Ave N Shift Values>> N :: 115.7(5.05) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 172.908 CA :: 56.088 CB :: 41.622 CD1 :: 132.476 CD2 :: 132.476 CE1 :: 131.296 CE2 :: 131.296 CZ :: 129.953 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.377 HA :: 5.017 HB2 :: 3.207 HB3 :: 2.975 HD1 :: 7.011 HD2 :: 7.011 HE1 :: 7.354 HE2 :: 7.354 HZ :: 7.538 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.667 Ave N Shift Values>> N :: 120.69(4.18) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.140 CA :: 61.412 CB :: 70.203 CG2 :: 21.576 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 :: 8.601 HA :: 4.929 HB :: 3.973 HG21 :: 1.232 HG22 :: 1.232 HG23 :: 1.232 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 :: 116.648 Ave N Shift Values>> N :: 115.7(5.05) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.721 CA :: 60.709 CB :: 71.390 CG2 :: 21.574 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 :: 9.070 HA :: 4.669 HB :: 4.781 HG21 :: 1.267 HG22 :: 1.267 HG23 :: 1.267 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 :: 117.606 Ave N Shift Values>> N :: 115.7(5.05) 1.R37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.24 K 0.21 R 0.15 H 0.13 W 0.12 E 0.09 V 0.02 C Shift Assignments>> C :: 176.741 CA :: 55.984 CB :: 32.222 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>> HA :: 4.377 HB2 :: 2.023 HB3 :: 1.691 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) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.260 CA :: 45.593 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.154 HA2 :: 4.160 HA3 :: 3.612 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.469 Ave N Shift Values>> N :: 109.91(4.29) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.21 G 0.09 C Shift Assignments>> C :: 175.061 CA :: 54.718 CB :: 31.250 CG :: 27.236 CD :: 43.197 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.408 HA :: 4.526 HB2 :: 1.912 HB3 :: 1.692 HG2 :: 1.600 HG3 :: 1.515 HD2 :: 3.185 HD3 :: 3.177 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.634 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.23 I 0.08 K 0.03 C Shift Assignments>> C :: 176.518 CA :: 56.395 CB :: 31.305 CG :: 37.139 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 :: 8.588 HA :: 4.709 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 2.234 HG3 :: 2.115 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 :: 122.867 Ave N Shift Values>> N :: 120.68(3.68) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 G 0.3 L 0.29 D 0.03 F 0.03 K 0.01 HN Overlap>> 1.V21 1.V21 C Shift Assignments>> C :: 176.534 CA :: 44.063 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.414 HA2 :: 2.902 HA3 :: 4.291 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.513 Ave N Shift Values>> N :: 109.91(4.29) 1.K43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.92 G 0.03 K 0.03 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 173.800 CA :: 55.201 CB :: 39.199(S) CG :: 25.634 CD :: 29.682 CE :: 42.150 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 :: 8.437 HA :: 5.341 HB2 :: 1.598 HB3 :: 1.599 HG2 :: 1.394 HG3 :: 1.325 HD2 :: 1.555 HD3 :: 1.549 HE2 :: 2.862 HE3 :: 2.845 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.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.3 C Shift Assignments>> C :: 175.602 CA :: 53.539 CB :: 45.542 CG :: 26.356 CD1 :: 24.908 CD2 :: 26.059 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 :: 8.602 HA :: 5.400 HB2 :: 1.247 HB3 :: 0.985 HG :: 1.229 HD11 :: 0.178 HD12 :: 0.178 HD13 :: 0.178 HD21 :: 0.333 HD22 :: 0.333 HD23 :: 0.333 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 :: 117.336 Ave N Shift Values>> N :: 121.98(4.07) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 A 0.25 M 0.11 K 0.07 P 0.01 R 0.01 C Shift Assignments>> C :: 174.539 CA :: 50.893 CB :: 23.096 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.080 HA :: 4.483 HB1 :: 1.028 HB2 :: 1.028 HB3 :: 1.028 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.961 Ave N Shift Values>> N :: 123.23(3.7) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.25 N 0.14 K 0.1 R 0.06 F 0.04 G 0.01 C Shift Assignments>> C :: 174.292 CA :: 52.268 CB :: 41.856 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 :: 8.249 HA :: 5.418 HB2 :: 2.539 HB3 :: 2.196 HD21 :: 7.083 HD22 :: 6.494 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 :: 118.579 ND2 :: 111.180 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 174.582 CA :: 60.600 CB :: 35.734 CG1 :: 21.697 CG2 :: 22.889 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 :: 9.400 HA :: 4.853 HB :: 2.059 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.536 HG22 :: 0.536 HG23 :: 0.536 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 :: 125.047 Ave N Shift Values>> N :: 121.02(4.96) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 176.369 CA :: 59.119 CB :: 37.210 CG1 :: 26.816 CG2 :: 17.371 CD1 :: 10.675 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 :: 8.921 HA :: 4.953 HB :: 1.869 HG12 :: 1.491 HG13 :: 1.374 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 127.331 Ave N Shift Values>> N :: 121.6(4.72) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.04 G 0.01 C Shift Assignments>> C :: 174.178 CA :: 58.399 CB :: 41.546 CG1 :: 26.224 CG2 :: 17.350 CD1 :: 13.172 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 :: 8.966 HA :: 5.453 HB :: 1.373 HG12 :: 1.396 HG13 :: 0.955 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 HD11 :: 0.496 HD12 :: 0.496 HD13 :: 0.496 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 :: 124.227 Ave N Shift Values>> N :: 121.6(4.72) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 K 0.17 P 0.13 R 0.05 M 0.04 A 0.03 H 0.01 C Shift Assignments>> C :: 176.786 CA :: 51.366 CB :: 24.372 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.038 HA :: 5.407 HB1 :: 1.552 HB2 :: 1.552 HB3 :: 1.552 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.145 Ave N Shift Values>> N :: 123.23(3.7) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.23 N 0.15 K 0.1 F 0.05 R 0.05 C Shift Assignments>> C :: 176.202 CA :: 52.481 CB :: 41.650 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 :: 8.852 HA :: 4.954 HB2 :: 3.432 HB3 :: 2.859 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 :: 122.520 Ave N Shift Values>> N :: 120.73(4.2) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 D 0.22 L 0.18 K 0.12 N 0.06 I 0.05 R 0.01 C Shift Assignments>> C :: 176.785 CA :: 56.660 CB :: 40.337 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 :: 8.617 HA :: 4.583 HB2 :: 2.832 HB3 :: 2.700 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 :: 115.840 Ave N Shift Values>> N :: 120.73(4.2) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.702 CA :: 61.840 CB :: 70.210 CG2 :: 22.133 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 :: 9.474 HA :: 4.615 HB :: 4.361 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 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 :: 110.736 Ave N Shift Values>> N :: 115.7(5.05) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 169.812 CA :: 45.582 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.688 HA2 :: 4.094 HA3 :: 4.094 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.675 Ave N Shift Values>> N :: 109.91(4.29) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.29 C Shift Assignments>> C :: 174.973 CA :: 54.250 CB :: 34.134 CG :: 36.356 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 :: 8.216 HA :: 5.375 HB2 :: 1.902 HB3 :: 1.905 HG2 :: 2.182 HG3 :: 2.182 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 :: 115.459 Ave N Shift Values>> N :: 120.68(3.68) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.26 A 0.03 C Shift Assignments>> C :: 173.939 CA :: 53.652 CB :: 47.148 CG :: 26.418 CD1 :: 24.456 CD2 :: 26.870 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 :: 9.365 HA :: 4.698 HB2 :: 1.534 HB3 :: 1.335 HG :: 1.425 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 HD21 :: 0.667 HD22 :: 0.667 HD23 :: 0.667 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 :: 122.270 Ave N Shift Values>> N :: 121.98(4.07) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.2 K 0.15 C Shift Assignments>> C :: 173.520 CA :: 55.422 CB :: 31.794 CG :: 27.441 CD :: 43.791 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.376 HA :: 4.642 HB2 :: 1.874 HB3 :: 1.623 HG2 :: 1.286 HG3 :: 1.275 HD2 :: 3.027 HD3 :: 3.012 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.869 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.08 C Shift Assignments>> C :: 175.916 CA :: 50.072 CB :: 19.248 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.835 HA :: 5.392 HB1 :: 1.248 HB2 :: 1.248 HB3 :: 1.248 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 131.975 Ave N Shift Values>> N :: 123.23(3.7) 1.V59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.834 CA :: 62.713 CB :: 32.504 CG1 :: 20.990 CG2 :: 19.525 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 :: 8.869 HA :: 4.216 HB :: 1.348 HG11 :: -0.187(S) HG12 :: -0.187(S) HG13 :: -0.187(S) HG21 :: 0.442 HG22 :: 0.442 HG23 :: 0.442 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 :: 124.312 Ave N Shift Values>> N :: 121.02(4.96) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.877 CA :: 56.394 CB :: 39.370 CD1 :: 132.001 CD2 :: 132.001 CE1 :: 130.767 CE2 :: 130.767 CZ :: 128.907 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.969 HA :: 4.283 HB2 :: 3.355 HB3 :: 2.404 HD1 :: 7.364 HD2 :: 7.364 HE1 :: 7.061 HE2 :: 7.061 HZ :: 6.848 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 129.000 Ave N Shift Values>> N :: 120.69(4.18) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.93 H 0.06 C Shift Assignments>> C :: 178.141 CA :: 56.617 CB :: 30.648 CD1 :: 127.317 CE3 :: 120.397 CZ2 :: 114.294 CZ3 :: 122.287 CH2 :: 124.142 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.434 HA :: 5.234 HB2 :: 3.917 HB3 :: 3.193 HD1 :: 7.372 HE1 :: 10.785 HE3 :: 7.708 HZ2 :: 7.320 HZ3 :: 6.335 HH2 :: 6.905 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.943 NE1 :: 130.572 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.517 CA :: 67.817 CB :: 69.852 CG2 :: 22.608 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 :: 7.888 HA :: 3.965 HB :: 4.235 HG21 :: 1.374 HG22 :: 1.374 HG23 :: 1.374 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 :: 117.600 Ave N Shift Values>> N :: 115.7(5.05) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.37 K 0.07 M 0.02 C Shift Assignments>> C :: 176.262 CA :: 58.948 CB :: 29.331 CG :: 37.004 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 :: 9.816 HA :: 4.290 HB2 :: 2.331 HB3 :: 1.994 HG2 :: 2.509 HG3 :: 2.463 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 :: 118.537 Ave N Shift Values>> N :: 120.68(3.68) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.29 K 0.11 R 0.11 N 0.08 F 0.04 G 0.02 C Shift Assignments>> C :: 176.266 CA :: 52.589 CB :: 42.259 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 :: 8.629 HA :: 4.926 HB2 :: 3.111 HB3 :: 2.938 HD21 :: 7.912 HD22 :: 7.386 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 :: 111.406 ND2 :: 110.893 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.872 CA :: 62.541 CB :: 35.579 CG1 :: 27.793 CG2 :: 17.997 CD1 :: 9.135 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 :: 7.536 HA :: 3.745 HB :: 2.212 HG12 :: 1.954 HG13 :: 1.308 HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 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 :: 122.325 Ave N Shift Values>> N :: 121.6(4.72) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.36 M 0.06 G 0.01 C Shift Assignments>> C :: 177.975 CA :: 58.508 CB :: 31.254 CG :: 23.946 CD :: 29.345 CE :: 42.055 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 :: 8.733 HA :: 4.204 HB2 :: 1.936 HB3 :: 1.938 HG2 :: 1.553 HG3 :: 1.300 HD2 :: 1.763 HD3 :: 1.774 HE2 :: 3.118 HE3 :: 3.116 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 :: 119.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 R 0.19 A 0.04 G 0.02 C Shift Assignments>> C :: 178.497 CA :: 56.491 CB :: 42.280 CG :: 27.117 CD1 :: 25.659 CD2 :: 22.176 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 :: 8.098 HA :: 4.154 HB2 :: 2.499 HB3 :: 1.738 HG :: 2.015 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 1.086 HD22 :: 1.086 HD23 :: 1.086 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 :: 119.471 Ave N Shift Values>> N :: 121.98(4.07) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 A 0.01 C Shift Assignments>> C :: 177.215 CA :: 56.744 CB :: 41.029 CG :: 27.006 CD1 :: 25.547 CD2 :: 22.996 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 :: 7.650 HA :: 3.331 HB2 :: 1.602 HB3 :: 1.131 HG :: 1.524 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 HD21 :: 0.016 HD22 :: 0.016 HD23 :: 0.016 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 :: 115.437 Ave N Shift Values>> N :: 121.98(4.07) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.35 M 0.05 G 0.01 C Shift Assignments>> C :: 178.026 CA :: 56.723 CB :: 32.389 CG :: 24.639 CD :: 28.845 CE :: 42.114 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 :: 6.900 HA :: 4.100 HB2 :: 1.736 HB3 :: 1.899 HG2 :: 1.500 HG3 :: 1.490 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 3.004 HE3 :: 3.004 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 :: 111.972 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 M 0.03 G 0.01 C Shift Assignments>> C :: 174.971 CA :: 56.881 CB :: 33.262 CG :: 25.583 CD :: 29.345 CE :: 42.080 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 :: 7.707 HA :: 4.238 HB2 :: 2.122 HB3 :: 2.047 HG2 :: 1.662 HG3 :: 1.605 HD2 :: 1.863 HD3 :: 1.766 HE2 :: 3.172 HE3 :: 3.126 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 :: 115.800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 G 0.04 C Shift Assignments>> C :: 171.490 CA :: 55.267 CB :: 42.076 CD1 :: 133.133 CD2 :: 133.133 CE1 :: 130.381 CE2 :: 130.381 CZ :: 128.939 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.995 HA :: 5.122 HB2 :: 3.260 HB3 :: 2.741 HD1 :: 6.951 HD2 :: 6.951 HE1 :: 6.933 HE2 :: 6.933 HZ :: 6.677 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.384 Ave N Shift Values>> N :: 120.69(4.18) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 K 0.3 R 0.27 C Shift Assignments>> C :: 175.858 CA :: 53.591 CB :: 34.154 CG :: 25.852 CD :: 43.591 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.317 HA :: 4.554 HB2 :: 1.871 HB3 :: 1.726 HG2 :: 1.658 HG3 :: 1.486 HD2 :: 3.164 HD3 :: 3.164 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.664 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.44 K 0.06 M 0.01 C Shift Assignments>> C :: 177.353 CA :: 59.040 CB :: 28.801 CG :: 37.260 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 :: 8.933 HA :: 3.733 HB2 :: 1.963 HB3 :: 1.882 HG2 :: 2.238 HG3 :: 2.145 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 :: 119.768 Ave N Shift Values>> N :: 120.68(3.68) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.670 CA :: 45.068 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.346 HA2 :: 4.552 HA3 :: 3.551 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.531 Ave N Shift Values>> N :: 109.91(4.29) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 K 0.22 D 0.21 R 0.13 F 0.09 N 0.03 C Shift Assignments>> C :: 175.314 CA :: 55.173 CB :: 41.946 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 :: 7.972 HA :: 4.713 HB2 :: 3.057 HB3 :: 2.559 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 :: 121.298 Ave N Shift Values>> N :: 120.73(4.2) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.635 CA :: 62.315 CB :: 31.568 CG1 :: 21.443 CG2 :: 21.387 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 :: 8.925 HA :: 4.497 HB :: 1.893 HG11 :: 0.643 HG12 :: 0.643 HG13 :: 0.643 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 121.898 Ave N Shift Values>> N :: 121.02(4.96) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 A 0.13 G 0.09 C Shift Assignments>> C :: 173.168 CA :: 58.189 CB :: 42.078 CG1 :: 23.512 CG2 :: 17.087 CD1 :: 12.902 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 :: 8.623 HA :: 5.473 HB :: 1.448 HG12 :: 1.080 HG13 :: 0.732 HG21 :: 0.422 HG22 :: 0.422 HG23 :: 0.422 HD11 :: -0.162 HD12 :: -0.162 HD13 :: -0.162 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 :: 118.650 Ave N Shift Values>> N :: 121.6(4.72) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 R 0.36 K 0.22 C Shift Assignments>> C :: 175.714 CA :: 53.975 CB :: 33.969 CG :: 26.333 CD :: 43.694 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.796 HA :: 5.386 HB2 :: 1.684 HB3 :: 1.569 HG2 :: 1.697 HG3 :: 1.697 HD2 :: 3.109 HD3 :: 3.108 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.321 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.705 CA :: 59.874 CB :: 39.150 CG1 :: 26.914 CG2 :: 17.985 CD1 :: 13.473 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 :: 9.346 HA :: 4.905 HB :: 1.569 HG12 :: 1.446 HG13 :: 0.697 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 HD11 :: 0.561 HD12 :: 0.561 HD13 :: 0.561 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 :: 127.862 Ave N Shift Values>> N :: 121.6(4.72) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.15 G 0.14 M 0.05 A 0.02 C Shift Assignments>> C :: 177.387 CA :: 50.038 CB :: 34.790 CG :: 24.627 CD :: 29.693 CE :: 41.838 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 :: 8.303 HA :: 5.303 HB2 :: 1.706 HB3 :: 1.710 HG2 :: 1.350 HG3 :: 1.251 HD2 :: 1.590 HD3 :: 1.590 HE2 :: 2.897 HE3 :: 2.886 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 :: 125.636 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.25 R 0.19 F 0.03 D 0.01 C Shift Assignments>> C :: 174.401 CA :: 56.618 CB :: 44.834 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 :: 7.695 HA :: 4.873 HB2 :: 2.304 HB3 :: 2.388 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 :: 125.658 Ave N Shift Values>> N :: 120.73(4.2) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 I 0.05 A 0.04 C Shift Assignments>> C :: 173.786 CA :: 58.843 CB :: 34.894 CG1 :: 22.523 CG2 :: 19.731 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 :: 8.572 HA :: 4.916 HB :: 1.729 HG11 :: 0.615 HG12 :: 0.615 HG13 :: 0.615 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 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 :: 109.915 Ave N Shift Values>> N :: 121.02(4.96) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.22 N 0.18 K 0.09 F 0.05 R 0.04 C Shift Assignments>> C :: 175.472 CA :: 52.264 CB :: 41.532 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 :: 8.861 HA :: 5.673 HB2 :: 2.657 HB3 :: 2.663 HD21 :: 6.995 HD22 :: 7.504 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 :: 117.068 ND2 :: 111.572 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 A 0.16 M 0.07 V 0.01 HN Overlap>> 1.V104 1.V104 C Shift Assignments>> C :: 176.509 CA :: 58.423 CB :: 34.462 CG1 :: 26.186 CG2 :: 17.413 CD1 :: 10.111 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 :: 8.877 HA :: 4.905 HB :: 2.464 HG12 :: 1.687 HG13 :: 1.227 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 HD11 :: 0.559 HD12 :: 0.559 HD13 :: 0.559 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 :: 124.839 Ave N Shift Values>> N :: 121.6(4.72) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.41 G 0.13 C Shift Assignments>> C :: 175.416 CA :: 53.929 CB :: 33.739 CG :: 26.584 CD :: 42.967 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.287 HA :: 4.886 HB2 :: 1.956 HB3 :: 1.523 HG2 :: 1.454 HG3 :: 1.318 HD2 :: 2.951 HD3 :: 2.822 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 129.081 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 174.164 CA :: 45.718 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.897 HA2 :: 4.111 HA3 :: 3.789 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.534 Ave N Shift Values>> N :: 109.91(4.29) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.26 R 0.24 F 0.02 D 0.02 C Shift Assignments>> C :: 173.952 CA :: 44.285 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.389 HA2 :: 4.247 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.264 Ave N Shift Values>> N :: 109.91(4.29) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.543 CA :: 58.666 CB :: 39.492 CD1 :: 131.746 CD2 :: 131.746 CE1 :: 131.670 CE2 :: 131.670 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.499 HA :: 4.535 HB2 :: 3.060 HB3 :: 3.107 HD1 :: 7.251 HD2 :: 7.251 HE1 :: 7.382 HE2 :: 7.382 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.375 Ave N Shift Values>> N :: 120.69(4.18) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 175.083 CA :: 45.982 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.732 HA2 :: 3.825 HA3 :: 3.684 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.677 Ave N Shift Values>> N :: 109.91(4.29) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 R 0.04 C Shift Assignments>> C :: 174.142 CA :: 45.205 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.297 HA2 :: 4.112 HA3 :: 3.795 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.457 Ave N Shift Values>> N :: 109.91(4.29) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.17 G 0.14 C Shift Assignments>> C :: 175.827 CA :: 55.490 CB :: 31.248 CG :: 27.306 CD :: 43.533 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.305 HA :: 4.467 HB2 :: 1.855 HB3 :: 1.804 HG2 :: 1.682 HG3 :: 1.673 HD2 :: 3.146 HD3 :: 3.133 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.419 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 M 0.02 G 0.01 C Shift Assignments>> C :: 175.199 CA :: 56.806 CB :: 33.669 CG :: 25.681 CD :: 29.230 CE :: 42.177 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 :: 8.685 HA :: 4.483 HB2 :: 1.722 HB3 :: 1.656 HG2 :: 1.506 HG3 :: 1.401 HD2 :: 1.469 HD3 :: 1.535 HE2 :: 3.033 HE3 :: 3.032 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 :: 123.785 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.35 C Shift Assignments>> C :: 174.547 CA :: 54.224 CB :: 33.678 CG :: 36.672 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 :: 8.686 HA :: 5.192 HB2 :: 1.985 HB3 :: 1.984 HG2 :: 2.300 HG3 :: 2.169 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 :: 119.447 Ave N Shift Values>> N :: 120.68(3.68) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.07 L 0.06 G 0.04 C Shift Assignments>> C :: 175.180 CA :: 49.376 CB :: 21.391 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.183 HA :: 5.090 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.565 Ave N Shift Values>> N :: 123.23(3.7) 1.H95 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> W 0.57 H 0.42 C Shift Assignments>> C :: 175.416 CA :: 56.527 CB :: 33.715 CD2 :: 115.490 CE1 :: 138.758 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.592 HA :: 4.938 HB2 :: 3.297 HB3 :: 3.309 HD2 :: 6.843 HE1 :: 8.095 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.448 ND1 :: 250.130(A) NE2 :: 169.327 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L96 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.51 K 0.38 V 0.08 C Shift Assignments>> C :: 175.349 CA :: 58.260 CB :: 41.312 CG :: 32.516(S) CD1 :: 23.402 CD2 :: 25.607 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 :: 8.289 HA :: 4.227 HB2 :: 1.824 HB3 :: 1.600 HG :: 1.250 HD11 :: 0.309 HD12 :: 0.309 HD13 :: 0.309 HD21 :: -0.211(S) HD22 :: -0.211(S) HD23 :: -0.211(S) 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 :: 126.746 Ave N Shift Values>> N :: 121.98(4.07) 1.M97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.43 C Shift Assignments>> C :: 177.131 CA :: 53.818 CB :: 33.939 CG :: 32.273 CE :: 17.403 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 :: 8.775 HA :: 4.896 HB2 :: 2.333 HB3 :: 1.793 HG2 :: 2.608 HG3 :: 2.330 HE1 :: 1.876 HE2 :: 1.876 HE3 :: 1.876 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 :: 118.142 Ave N Shift Values>> N :: 120.1(3.88) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.288 CA :: 67.287 CB :: 31.949 CG :: 28.081 CD :: 50.050 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.120 HB2 :: 2.355 HB3 :: 1.958 HG2 :: 2.225 HG3 :: 1.952 HD2 :: 3.871 HD3 :: 3.828 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.12 G 0.12 L 0.1 C Shift Assignments>> C :: 176.685 CA :: 55.066 CB :: 29.377 CG :: 27.219 CD :: 43.350 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.045 HA :: 4.525 HB2 :: 2.022 HB3 :: 1.827 HG2 :: 1.591 HG3 :: 1.591 HD2 :: 3.177 HD3 :: 3.186 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 111.828 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.479 CA :: 61.744 CB :: 64.077 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.047 HA :: 4.922 HB2 :: 3.654 HB3 :: 3.630 HG :: 6.129 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.053 Ave N Shift Values>> N :: 116.3(3.95) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 A 0.01 HN Overlap>> 1.G16 1.G16 C Shift Assignments>> C :: 173.470 CA :: 59.319 CB :: 71.919 CG2 :: 21.294 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 :: 8.795 HA :: 4.735 HB :: 4.344 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 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 :: 114.246 Ave N Shift Values>> N :: 115.7(5.05) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.03 C Shift Assignments>> C :: 173.774 CA :: 60.621 CB :: 36.090 CG1 :: 23.393 CG2 :: 22.062 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 :: 8.422 HA :: 5.005 HB :: 1.876 HG11 :: 0.994 HG12 :: 0.994 HG13 :: 0.994 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 117.671 Ave N Shift Values>> N :: 121.02(4.96) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 E 0.3 C Shift Assignments>> C :: 174.788 CA :: 53.968 CB :: 33.741 CG :: 36.360 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 :: 8.671 HA :: 4.720 HB2 :: 1.966 HB3 :: 1.875 HG2 :: 2.185 HG3 :: 2.187 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 :: 125.512 Ave N Shift Values>> N :: 120.68(3.68) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I84 1.I84 C Shift Assignments>> C :: 176.346 CA :: 62.621 CB :: 31.756 CG1 :: 21.874 CG2 :: 21.377 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 :: 8.956 HA :: 4.375 HB :: 2.094 HG11 :: 1.113 HG12 :: 1.113 HG13 :: 1.113 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 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 :: 124.785 Ave N Shift Values>> N :: 121.02(4.96) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.1 A 0.1 G 0.01 C Shift Assignments>> C :: 176.532 CA :: 54.511 CB :: 41.963 CG :: 26.947 CD1 :: 25.876 CD2 :: 22.498 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 :: 8.910 HA :: 4.413 HB2 :: 1.396 HB3 :: 1.398 HG :: 1.474 HD11 :: 0.683 HD12 :: 0.683 HD13 :: 0.683 HD21 :: 0.647 HD22 :: 0.647 HD23 :: 0.647 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 :: 129.647 Ave N Shift Values>> N :: 121.98(4.07) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.24 N 0.15 K 0.09 R 0.06 F 0.04 G 0.01 C Shift Assignments>> CA :: 51.949 CB :: 41.822 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 :: 8.214 HA :: 4.927 HB2 :: 2.787 HB3 :: 2.605 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 :: 120.870 Ave N Shift Values>> N :: 120.73(4.2) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 A 0.01 C Shift Assignments>> C :: 177.225 CA :: 62.681 CB :: 34.364 CG :: 24.803 CD :: 50.192 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.625 HB2 :: 2.368 HB3 :: 2.024 HG2 :: 1.939 HG3 :: 1.819 HD2 :: 3.574 HD3 :: 3.493 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.06 C Shift Assignments>> C :: 178.050 CA :: 56.078 CB :: 41.594 CG :: 27.081 CD1 :: 24.727 CD2 :: 23.818 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 :: 8.649 HA :: 4.164 HB2 :: 1.631 HB3 :: 1.542 HG :: 1.597 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 121.077 Ave N Shift Values>> N :: 121.98(4.07) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.17 K 0.13 I 0.08 C Shift Assignments>> C :: 176.498 CA :: 56.918 CB :: 30.272 CG :: 36.187 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 :: 8.178 HA :: 4.129 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 2.208 HG3 :: 2.142 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 :: 119.581 Ave N Shift Values>> N :: 120.68(3.68) 1.H110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 W 0.47 C Shift Assignments>> CA :: 55.975 CB :: 30.146 CD2 :: 119.712 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.133 HA :: 4.552 HB2 :: 3.077 HB3 :: 3.012 HD2 :: 7.025 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.772 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 473 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 754 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 102 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.P20 HA = 5.639(S), Expected = 4.41, Std = 0.3600, ChiSquare = 6.4043e-04 1.K43 CB = 39.199(S), Expected = 32.83, Std = 1.8800, ChiSquare = 7.0464e-04 1.V59 HG11 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.V59 HG12 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.V59 HG13 = -0.187(S), Expected = 0.84, Std = 0.2700, ChiSquare = 1.4255e-04 1.H95 ND1 = 250.130(A), Expected = 190.74, Std = 22.8400, ChiSquare = 9.3152e-03 1.L96 Typing: Mistyped 1.L96 CG = 32.516(S), Expected = 26.77, Std = 1.2500, ChiSquare = 4.2903e-06 1.L96 HD21 = -0.211(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.2463e-04 1.L96 HD22 = -0.211(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.2463e-04 1.L96 HD23 = -0.211(S), Expected = 0.76, Std = 0.2800, ChiSquare = 5.2463e-04