Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.35 C 0.28 C Shift Assignments>> C :: 174.724 CA :: 55.967 CB :: 30.467 CD2 :: 120.271 CE1 :: 137.739 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>> HA :: 4.724 HB2 :: 3.184 HB3 :: 3.122 HD2 :: 7.111 HE1 :: 8.083 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>> ND1 :: 216.441 NE2 :: 181.848 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.39 A 0.15 I 0.01 C Shift Assignments>> C :: 175.609 CA :: 55.622 CB :: 33.910 CE :: 17.289 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 :: 8.376 HE1 :: 1.960 HE2 :: 1.960 HE3 :: 1.960 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 :: 123.557 Ave N Shift Values>> N :: 120.1(3.88) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.398 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.630 HA2 :: 4.020 HA3 :: 4.424 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.903 Ave N Shift Values>> N :: 109.91(4.29) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.08 C Shift Assignments>> C :: 178.994 CA :: 65.461 CB :: 31.646 CG :: 27.545 CD :: 49.592 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 :: 4.213 HB2 :: 2.412 HB3 :: 2.023 HG2 :: 2.209 HG3 :: 2.139 HD2 :: 3.848 HD3 :: 3.760 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.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.28 I 0.24 K 0.08 Q 0.02 C Shift Assignments>> C :: 179.162 CA :: 59.332 CB :: 28.522 CG :: 36.311 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 :: 8.736 HA :: 4.098 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.361 HG3 :: 2.361 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 :: 118.500 Ave N Shift Values>> N :: 120.68(3.68) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.22 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.162 CA :: 59.487 CB :: 29.615 CG :: 36.576 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 :: 8.027 HA :: 4.078 HB2 :: 2.183 HB3 :: 2.014 HG2 :: 2.423 HG3 :: 2.302 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 :: 122.240 Ave N Shift Values>> N :: 120.68(3.68) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.05 G 0.01 C Shift Assignments>> C :: 178.078 CA :: 57.869 CB :: 42.033 CG :: 27.014 CD1 :: 24.624 CD2 :: 24.092 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 :: 8.189 HA :: 3.911 HB2 :: 1.600 HB3 :: 1.297 HG :: 1.358 HD11 :: 0.521 HD12 :: 0.521 HD13 :: 0.521 HD21 :: 0.404 HD22 :: 0.404 HD23 :: 0.404 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 :: 121.927 Ave N Shift Values>> N :: 121.98(4.07) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.38 K 0.09 G 0.06 HN Overlap>> 1.S76 1.S76 C Shift Assignments>> C :: 179.184 CA :: 60.079 CB :: 29.615 CG :: 27.811 CD :: 42.951 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 :: 8.196 HA :: 3.797 HB2 :: 1.925 HB3 :: 1.892 HG2 :: 1.739 HG3 :: 1.547 HD2 :: 3.275 HD3 :: 3.203 HE :: 7.573 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 :: 118.731 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.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.989 CA :: 61.510 CB :: 62.416 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.813 HA :: 4.239 HB2 :: 3.993 HB3 :: 3.993 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 :: 114.029 Ave N Shift Values>> N :: 116.3(3.95) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.34 R 0.08 G 0.01 C Shift Assignments>> C :: 178.815 CA :: 58.772 CB :: 42.111 CG :: 26.749 CD1 :: 25.686 CD2 :: 24.538 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 :: 8.145 HA :: 4.058 HB2 :: 1.772 HB3 :: 1.609 HG :: 1.628 HD11 :: 0.808 HD12 :: 0.808 HD13 :: 0.808 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 125.756 Ave N Shift Values>> N :: 121.98(4.07) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.17 F 0.13 K 0.13 C 0.12 Y 0.11 N 0.06 R 0.02 I 0.01 HN Overlap>> 1.S65 1.S65 C Shift Assignments>> C :: 178.025 CA :: 55.598 CB :: 40.861 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 :: 8.090 HA :: 4.366 HB2 :: 1.922 HB3 :: 1.540 HG :: 1.808 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 116.128 Ave N Shift Values>> N :: 121.98(4.07) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.461 CA :: 65.399 CB :: 69.289 CG2 :: 21.702 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 :: 7.780 HA :: 4.255 HB :: 4.443 HG21 :: 1.419 HG22 :: 1.419 HG23 :: 1.419 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 :: 113.498 Ave N Shift Values>> N :: 115.7(5.05) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.034 CA :: 61.883 CB :: 70.929 CG2 :: 21.436 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 :: 7.269 HA :: 4.604 HB :: 4.358 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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 :: 107.390 Ave N Shift Values>> N :: 115.7(5.05) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 C 0.16 M 0.14 R 0.14 W 0.1 Q 0.09 E 0.07 K 0.07 HN Overlap>> 1.F66 1.F66 C Shift Assignments>> C :: 173.565 CA :: 53.825 CB :: 30.865 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 :: 8.155 HA :: 5.003 HB2 :: 2.065 HB3 :: 1.876 HG2 :: 2.359 HG3 :: 2.237 HE21 :: 6.922 HE22 :: 6.668 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 :: 122.840 NE2 :: 109.240 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.35 V 0.25 I 0.22 C 0.09 W 0.04 R 0.01 C Shift Assignments>> C :: 177.042 CA :: 63.750 CB :: 30.318 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.510 HA :: 3.615 HB2 :: 3.277 HB3 :: 2.650 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.589 Ave N Shift Values>> N :: 119.95(4.79) 1.G16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 171.054 CA :: 45.984 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.306 HA2 :: 3.466 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 129.641(S) Ave N Shift Values>> N :: 109.91(4.29) 1.V17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.129 CA :: 64.995 CB :: 31.568 CG1 :: 25.155 CG2 :: 20.905 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 :: 7.014 HA :: 3.168 HB :: 0.544(S) HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 HG21 :: 0.491 HG22 :: 0.491 HG23 :: 0.491 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 :: 118.868 Ave N Shift Values>> N :: 121.02(4.96) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.603 CA :: 61.261 CB :: 37.972 CG1 :: 28.077 CG2 :: 17.186 CD1 :: 12.936 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 :: 8.120 HA :: 3.937 HB :: 1.577 HG12 :: 1.731 HG13 :: 0.922 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 129.409 Ave N Shift Values>> N :: 121.6(4.72) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A73 1.A73 C Shift Assignments>> C :: 176.497 CA :: 57.589 CB :: 63.509 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.150 HA :: 4.561 HB2 :: 4.229 HB3 :: 4.180 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 :: 124.135 Ave N Shift Values>> N :: 116.3(3.95) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.12 I 0.1 Q 0.08 M 0.03 C Shift Assignments>> C :: 176.884 CA :: 58.492 CB :: 29.303 CG :: 35.780 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 :: 9.367 HA :: 4.048 HB2 :: 1.911 HB3 :: 1.911 HG2 :: 2.163 HG3 :: 2.163 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 :: 129.205 Ave N Shift Values>> N :: 120.68(3.68) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.32 C 0.32 C Shift Assignments>> CA :: 58.119 CB :: 30.865 CD2 :: 119.440 CE1 :: 138.413 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 :: 8.337 HA :: 4.650 HB2 :: 3.261 HB3 :: 3.160 HD2 :: 7.139 HE1 :: 7.979 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 :: 117.018 ND1 :: 227.972 NE2 :: 176.313 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.216 CA :: 61.510 CB :: 70.304 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.34 K 0.23 L 0.03 G 0.01 C Shift Assignments>> C :: 175.128 CA :: 57.216 CB :: 29.147 CG :: 24.624 CD :: 28.874 CE :: 42.420 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 :: 7.965 HA :: 3.956 HB2 :: 2.155 HB3 :: 2.021 HG2 :: 1.383 HG3 :: 1.294 HD2 :: 1.668 HD3 :: 1.578 HE2 :: 3.004 HE3 :: 2.987 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 :: 115.951 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.36 R 0.18 M 0.01 G 0.01 C Shift Assignments>> C :: 176.849 CA :: 54.851 CB :: 34.379 CG :: 25.155 CD :: 28.874 CE :: 42.154 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 :: 7.733 HA :: 4.605 HB2 :: 1.843 HB3 :: 1.651 HG2 :: 1.475 HG3 :: 1.398 HD2 :: 1.706 HD3 :: 1.685 HE2 :: 3.047 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 :: 118.404 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.43 A 0.08 I 0.02 C Shift Assignments>> C :: 176.304 CA :: 56.500 CB :: 35.082 CG :: 31.795 CE :: 17.150 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 :: 8.584 HA :: 3.883 HB2 :: 1.797 HB3 :: 1.772 HG2 :: 2.650 HG3 :: 2.535 HE1 :: 1.865 HE2 :: 1.865 HE3 :: 1.865 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 :: 122.704 Ave N Shift Values>> N :: 120.1(3.88) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.24 C 0.15 W 0.14 V 0.1 E 0.07 P 0.06 R 0.06 H 0.04 K 0.04 Q 0.03 M 0.01 C Shift Assignments>> C :: 177.709 CA :: 61.261 CB :: 29.693 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.460 HA :: 4.234 HB2 :: 3.085 HB3 :: 2.769 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.119 Ave N Shift Values>> N :: 119.95(4.79) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.08 C Shift Assignments>> C :: 175.514 CA :: 61.448 CB :: 68.664 CG2 :: 21.702 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 :: 8.490 HA :: 4.558 HB :: 4.647 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 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 :: 120.727 Ave N Shift Values>> N :: 115.7(5.05) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.36 K 0.14 G 0.09 C Shift Assignments>> C :: 174.408 CA :: 57.216 CB :: 30.474 CG :: 29.405 CD :: 43.483 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 :: 8.527 HA :: 4.500 HB2 :: 2.380 HB3 :: 2.261 HG2 :: 2.085 HG3 :: 1.807 HD2 :: 3.589 HD3 :: 3.553 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 :: 123.903 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.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 :: 174.057 CA :: 58.585 CB :: 64.993 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.206 HA :: 4.706 HB2 :: 4.118 HB3 :: 4.118 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 :: 114.833 Ave N Shift Values>> N :: 116.3(3.95) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.04 C Shift Assignments>> C :: 177.042 CA :: 57.247 CB :: 40.861 CG :: 27.811 CD1 :: 24.889 CD2 :: 23.030 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 :: 7.921 HA :: 3.833 HB2 :: 1.677 HB3 :: 1.590 HG :: 1.537 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.636 HD22 :: 0.636 HD23 :: 0.636 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 :: 116.632 Ave N Shift Values>> N :: 121.98(4.07) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.28 L 0.14 K 0.14 G 0.03 C Shift Assignments>> C :: 174.338 CA :: 54.260 CB :: 28.834 CG :: 27.280 CD :: 42.686 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 :: 7.738 HA :: 4.379 HB2 :: 2.061 HB3 :: 1.487 HG2 :: 1.635 HG3 :: 1.557 HD2 :: 3.203 HD3 :: 3.180 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 :: 115.665 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.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 H 0.14 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> CA :: 56.688 CB :: 30.552 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.422 HA :: 4.435 HB2 :: 3.464 HB3 :: 3.083 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 127.324 Ave N Shift Values>> N :: 119.95(4.79) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.534 CA :: 63.128 CB :: 31.802 CD :: 51.185 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 :: 4.768 HB2 :: 2.242 HB3 :: 2.099 HG2 :: 2.149 HG3 :: 1.954 HD2 :: 3.938 HD3 :: 3.844 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.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.21 E 0.14 M 0.1 R 0.03 C Shift Assignments>> C :: 175.128 CA :: 57.092 CB :: 29.771 CG :: 33.920 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 :: 8.753 HA :: 4.046 HB2 :: 1.529 HB3 :: 1.425 HG2 :: 2.088 HG3 :: 1.999 HE21 :: 7.482 HE22 :: 6.890 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 :: 123.753 NE2 :: 112.368 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.26 H 0.25 C Shift Assignments>> C :: 174.057 CA :: 55.816 CB :: 33.832 CD2 :: 120.022 CE1 :: 137.866 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 :: 7.573 HA :: 5.301 HB2 :: 3.086 HB3 :: 2.867 HD2 :: 7.272 HE1 :: 7.912 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 :: 119.249 ND1 :: 223.202 NE2 :: 170.003 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.22 C Shift Assignments>> C :: 176.322 CA :: 59.767 CB :: 71.788 CG2 :: 21.702 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 :: 9.036 HA :: 4.686 HB :: 4.878 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 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 :: 112.053 Ave N Shift Values>> N :: 115.7(5.05) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 C 0.19 I 0.08 D 0.07 L 0.05 N 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 179.272 CA :: 57.496 CB :: 39.533 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 :: 9.082 HA :: 4.523 HB2 :: 2.768 HB3 :: 2.742 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 :: 121.600 Ave N Shift Values>> N :: 120.73(4.2) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.21 Q 0.21 E 0.13 I 0.04 R 0.04 M 0.02 C Shift Assignments>> C :: 179.184 CA :: 59.736 CB :: 29.068 CG :: 33.920 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 :: 8.611 HA :: 4.197 HB2 :: 2.158 HB3 :: 1.976 HG2 :: 2.372 HG3 :: 2.311 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 :: 122.485 Ave N Shift Values>> N :: 120.68(3.68) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.13 E 0.13 I 0.11 K 0.1 Q 0.09 R 0.09 H 0.09 V 0.02 M 0.02 C Shift Assignments>> C :: 175.157 CA :: 59.332 CB :: 29.248 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 :: 8.076 HA :: 4.074 HB2 :: 2.436 HB3 :: 2.302 HG2 :: 2.617 HG3 :: 2.519 HE21 :: 7.735 HE22 :: 7.177 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 :: 121.232 NE2 :: 112.684 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.47 C Shift Assignments>> C :: 179.465 CA :: 60.483 CB :: 30.048 CZ :: 159.318 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 :: 8.356 HA :: 4.385 HB2 :: 2.424 HB3 :: 2.424 HG2 :: 1.917 HG3 :: 1.890 HD2 :: 3.261 HD3 :: 3.261 HE :: 7.602 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 :: 121.658 NE :: 110.252 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.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 K 0.08 G 0.08 C Shift Assignments>> C :: 178.675 CA :: 60.048 CB :: 30.084 CG :: 27.811 CD :: 43.217 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 :: 8.619 HA :: 4.141 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 1.801 HG3 :: 1.596 HD2 :: 3.286 HD3 :: 3.263 HE :: 7.694 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 :: 123.685 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.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.147 CA :: 66.893 CB :: 68.430 CG2 :: 21.702 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 :: 8.443 HA :: 3.883 HB :: 4.296 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 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 :: 116.700 Ave N Shift Values>> N :: 115.7(5.05) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.445 CA :: 65.088 CB :: 31.177 CG1 :: 23.396 CG2 :: 20.374 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 :: 7.945 HA :: 4.208 HB :: 2.197 HG11 :: 1.303 HG12 :: 1.303 HG13 :: 1.303 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 122.036 Ave N Shift Values>> N :: 121.02(4.96) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 R 0.33 C Shift Assignments>> C :: 177.797 CA :: 60.794 CB :: 28.209 CZ :: 158.950 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 :: 7.061 HA :: 4.073 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.364 HD3 :: 3.196 HE :: 7.327 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 :: 122.881 NE :: 111.221 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.I45 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 179.011 CA :: 65.928 CB :: 31.530(S) CG1 :: 23.030 CG2 :: 21.171 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 :: 8.094 HA :: 3.737 HB :: 2.144 HG12 :: 1.072 HG13 :: 1.072 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 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 :: 121.531 Ave N Shift Values>> N :: 121.6(4.72) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 C Shift Assignments>> C :: 177.340 CA :: 61.199 CB :: 37.737 CD1 :: 132.863 CD2 :: 132.863 CE1 :: 118.238 CE2 :: 118.238 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.997 HA :: 4.091 HB2 :: 3.044 HB3 :: 2.980 HD1 :: 6.317 HD2 :: 6.317 HE1 :: 6.500 HE2 :: 6.500 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.313 Ave N Shift Values>> N :: 120.79(4.69) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 I 0.24 Y 0.2 C 0.17 K 0.05 L 0.02 R 0.01 C Shift Assignments>> C :: 177.393 CA :: 60.763 CB :: 40.783 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 :: 7.981 HA :: 4.453 HB2 :: 3.112 HB3 :: 2.799 HD1 :: 7.379 HD2 :: 7.379 HE1 :: 7.342 HE2 :: 7.342 HZ :: 7.384 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 :: 114.383 Ave N Shift Values>> N :: 120.69(4.18) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.17 R 0.15 K 0.15 C 0.1 F 0.06 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 178.008 CA :: 54.696 CB :: 42.423 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 :: 4.602 HB2 :: 2.017 HB3 :: 1.675 HG :: 1.575 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 117.232 Ave N Shift Values>> N :: 121.98(4.07) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.771 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.884 HA2 :: 4.070 HA3 :: 4.370 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.688 Ave N Shift Values>> N :: 109.91(4.29) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 177.762 CA :: 64.279 CB :: 31.802 CG :: 27.280 CD :: 49.592 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 :: 4.392 HB2 :: 2.335 HB3 :: 2.335 HG2 :: 2.061 HG3 :: 2.035 HD2 :: 3.761 HD3 :: 3.656 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.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.302 CA :: 58.554 CB :: 63.041 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.353 HA :: 4.454 HB2 :: 3.935 HB3 :: 3.935 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 :: 114.683 Ave N Shift Values>> N :: 116.3(3.95) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.23 C 0.03 L 0.02 C Shift Assignments>> C :: 177.200 CA :: 52.922 CB :: 19.931 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.808 HA :: 4.176 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.443 Ave N Shift Values>> N :: 123.23(3.7) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.620 CA :: 61.323 CB :: 32.973 CG1 :: 20.905 CG2 :: 20.905 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 :: 7.815 HA :: 4.225 HB :: 2.110 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 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 :: 118.118 Ave N Shift Values>> N :: 121.02(4.96) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.23 A 0.04 R 0.03 C Shift Assignments>> CA :: 52.768 CB :: 41.408 CG :: 27.280 CD1 :: 23.561 CD2 :: 25.421 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 :: 8.315 HA :: 4.659 HB2 :: 1.624 HB3 :: 1.624 HG :: 1.713 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.922 HD22 :: 0.922 HD23 :: 0.922 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 :: 127.596 Ave N Shift Values>> N :: 121.98(4.07) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.515 CA :: 63.035 CB :: 31.958 CG :: 27.280 CD :: 50.389 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 :: 4.452 HB2 :: 2.333 HB3 :: 1.922 HG2 :: 2.066 HG3 :: 2.035 HD2 :: 3.879 HD3 :: 3.640 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.07 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.585 CA :: 56.500 CB :: 30.240 CG :: 36.311 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 :: 8.505 HA :: 4.301 HB2 :: 2.050 HB3 :: 1.949 HG2 :: 2.328 HG3 :: 2.247 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 :: 121.518 Ave N Shift Values>> N :: 120.68(3.68) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.129 CA :: 62.101 CB :: 32.895 CG1 :: 20.905 CG2 :: 20.905 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 :: 8.203 HA :: 4.150 HB :: 2.095 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 121.722 Ave N Shift Values>> N :: 121.02(4.96) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.498 CA :: 56.718 CB :: 30.240 CG :: 36.311 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 :: 8.559 HA :: 4.327 HB2 :: 2.090 HB3 :: 1.984 HG2 :: 2.308 HG3 :: 2.275 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 :: 125.511 Ave N Shift Values>> N :: 120.68(3.68) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.583 CA :: 58.367 CB :: 63.666 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.412 HA :: 4.500 HB2 :: 3.920 HB3 :: 3.876 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 :: 117.954 Ave N Shift Values>> N :: 116.3(3.95) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.531 CA :: 58.336 CB :: 63.569 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.446 HA :: 4.501 HB2 :: 3.888 HB3 :: 3.936 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 :: 118.881 Ave N Shift Values>> N :: 116.3(3.95) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.08 G 0.01 C Shift Assignments>> C :: 177.112 CA :: 55.256 CB :: 42.267 CG :: 26.749 CD1 :: 25.686 CD2 :: 24.358 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 :: 8.277 HA :: 4.383 HB2 :: 1.663 HB3 :: 1.611 HG :: 1.640 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 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 :: 124.516 Ave N Shift Values>> N :: 121.98(4.07) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 N 0.11 C 0.11 K 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.006 CA :: 54.291 CB :: 40.939 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 :: 8.282 HA :: 4.615 HB2 :: 2.743 HB3 :: 2.622 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 :: 121.286 Ave N Shift Values>> N :: 120.73(4.2) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.2 C 0.15 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 180.050 CA :: 53.482 CB :: 38.987 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 :: 8.308 HA :: 4.705 HB2 :: 2.845 HB3 :: 2.768 HD21 :: 7.632 HD22 :: 6.918 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 :: 119.808 ND2 :: 113.636 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.339 CA :: 54.602 CB :: 40.939 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 :: 8.391 HA :: 4.628 HB2 :: 2.677 HB3 :: 2.677 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 :: 121.395 Ave N Shift Values>> N :: 120.73(4.2) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> C :: 174.267 CA :: 58.461 CB :: 63.588 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.131 HA :: 4.419 HB2 :: 3.825 HB3 :: 3.825 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 :: 116.142 Ave N Shift Values>> N :: 116.3(3.95) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.09 D 0.06 L 0.04 E 0.02 N 0.02 K 0.01 HN Overlap>> 1.Q14 1.Q14 C Shift Assignments>> C :: 175.216 CA :: 57.745 CB :: 39.377 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 :: 8.179 HA :: 4.622 HB2 :: 3.170 HB3 :: 3.053 HD1 :: 7.258 HD2 :: 7.258 HE1 :: 7.357 HE2 :: 7.357 HZ :: 7.302 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 :: 122.731 Ave N Shift Values>> N :: 120.69(4.18) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 N 0.11 C 0.11 K 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.162 CA :: 54.105 CB :: 41.017 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 :: 8.312 HA :: 4.604 HB2 :: 2.734 HB3 :: 2.604 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 :: 122.663 Ave N Shift Values>> N :: 120.73(4.2) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.13 C Shift Assignments>> C :: 176.726 CA :: 55.629 CB :: 32.661 CG :: 32.061 CE :: 17.046 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 :: 8.375 HA :: 4.535 HB2 :: 2.183 HB3 :: 2.051 HG2 :: 2.650 HG3 :: 2.565 HE1 :: 2.115 HE2 :: 2.115 HE3 :: 2.115 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 :: 122.431 Ave N Shift Values>> N :: 120.1(3.88) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.742 CA :: 62.848 CB :: 69.523 CG2 :: 21.436 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 :: 8.292 HA :: 4.265 HB :: 4.277 HG21 :: 1.246 HG22 :: 1.246 HG23 :: 1.246 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 :: 115.515 Ave N Shift Values>> N :: 115.7(5.05) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.884 CA :: 54.602 CB :: 40.939 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 :: 8.360 HA :: 4.659 HB2 :: 2.788 HB3 :: 2.671 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 :: 123.290 Ave N Shift Values>> N :: 120.73(4.2) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.542 CA :: 59.705 CB :: 63.197 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.334 HA :: 4.339 HB2 :: 3.961 HB3 :: 3.917 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 :: 117.586 Ave N Shift Values>> N :: 116.3(3.95) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.25 K 0.24 E 0.12 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 176.638 CA :: 56.749 CB :: 28.912 CG :: 33.920 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 :: 8.365 HA :: 4.237 HB2 :: 2.171 HB3 :: 2.089 HG2 :: 2.432 HG3 :: 2.394 HE21 :: 7.596 HE22 :: 6.880 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 :: 122.186 NE2 :: 113.328 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.28 C 0.02 HN Overlap>> 1.S19 1.S19 C Shift Assignments>> C :: 178.341 CA :: 53.327 CB :: 18.838 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.085 HA :: 4.245 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.148 Ave N Shift Values>> N :: 123.23(3.7) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 R 0.13 D 0.12 C 0.1 F 0.09 Y 0.07 N 0.01 C Shift Assignments>> C :: 177.955 CA :: 56.034 CB :: 42.033 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 :: 7.977 HA :: 4.263 HB2 :: 1.719 HB3 :: 1.655 HG :: 1.646 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 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 :: 120.591 Ave N Shift Values>> N :: 121.98(4.07) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.24 C Shift Assignments>> C :: 176.901 CA :: 62.039 CB :: 38.284 CG1 :: 27.811 CG2 :: 17.452 CD1 :: 12.936 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 :: 7.944 HA :: 4.074 HB :: 1.925 HG12 :: 1.549 HG13 :: 1.223 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 120.782 Ave N Shift Values>> N :: 121.6(4.72) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> C :: 174.864 CA :: 59.052 CB :: 63.353 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.211 HA :: 4.421 HB2 :: 3.913 HB3 :: 3.913 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 :: 118.799 Ave N Shift Values>> N :: 116.3(3.95) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 K 0.11 G 0.06 C Shift Assignments>> C :: 176.410 CA :: 56.469 CB :: 30.630 CG :: 27.014 CD :: 43.217 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 :: 8.118 HA :: 4.300 HB2 :: 1.898 HB3 :: 1.795 HG2 :: 1.653 HG3 :: 1.601 HD2 :: 3.134 HD3 :: 3.134 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 :: 122.976 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 177.253 CA :: 55.474 CB :: 42.111 CG :: 27.014 CD1 :: 24.624 CD2 :: 23.561 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 :: 8.053 HA :: 4.295 HB2 :: 1.664 HB3 :: 1.489 HG :: 1.601 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 122.554 Ave N Shift Values>> N :: 121.98(4.07) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.09 M 0.07 R 0.05 C Shift Assignments>> C :: 175.492 CA :: 55.754 CB :: 29.303 CG :: 33.655 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 :: 8.123 HA :: 4.306 HB2 :: 2.037 HB3 :: 1.957 HG2 :: 2.270 HG3 :: 2.270 HE21 :: 7.532 HE22 :: 6.840 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 :: 120.400 NE2 :: 113.162 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.4 H 0.12 C Shift Assignments>> C :: 175.690 CA :: 57.309 CB :: 29.693 CE3 :: 120.945 CZ2 :: 114.801 CH2 :: 124.771 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 :: 8.168 HA :: 4.730 HB2 :: 3.336 HB3 :: 3.242 HD1 :: 7.269 HE1 :: 10.131 HE3 :: 7.654 HZ2 :: 7.483 HZ3 :: 7.149 HH2 :: 7.215 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 :: 123.112 NE1 :: 130.152 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.18 N 0.12 C 0.11 K 0.1 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 175.163 CA :: 53.949 CB :: 41.017 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 :: 8.228 HA :: 4.622 HB2 :: 2.551 HB3 :: 2.505 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 :: 123.917 Ave N Shift Values>> N :: 120.73(4.2) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> CA :: 46.140 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.113 HA2 :: 3.571 HA3 :: 3.571 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.065 Ave N Shift Values>> N :: 109.91(4.29) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 82 #Suspicious: 0 C Shift Results: #Consistent: 327 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 559 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.G16 N = 129.641(S), Expected = 109.91, Std = 4.2900, ChiSquare = 4.2391e-06 1.V17 HB = 0.544(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.1769e-05 1.I45 Typing: Mistyped 1.I45 CB = 31.530(S), Expected = 38.58, Std = 2.0900, ChiSquare = 7.4298e-04