Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.964 CA :: 58.643 CB :: 63.833 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.484 HB2 :: 3.906 HB3 :: 3.906 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) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 174.128 CA :: 45.284 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.413 HA2 :: 3.998 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.812 Ave N Shift Values>> N :: 109.91(4.29) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.406 CA :: 62.411 CB :: 32.654 CG1 :: 21.104 CG2 :: 20.414 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 :: 8.008 HA :: 4.112 HB :: 2.067 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.355 Ave N Shift Values>> N :: 121.02(4.96) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.09 R 0.04 C Shift Assignments>> C :: 175.654 CA :: 55.856 CB :: 29.483 CG :: 33.757 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 :: 8.507 HA :: 4.339 HB2 :: 2.090 HB3 :: 1.974 HG2 :: 2.345 HG3 :: 2.345 HE21 :: 7.580 HE22 :: 6.862 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 :: 123.889 NE2 :: 112.704 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.875 CA :: 54.547 CB :: 41.147 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 :: 8.303 HA :: 4.545 HB2 :: 2.660 HB3 :: 2.611 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 :: 121.578 Ave N Shift Values>> N :: 120.73(4.2) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.24 K 0.23 M 0.1 E 0.1 R 0.04 C Shift Assignments>> C :: 175.661 CA :: 55.380 CB :: 29.586 CG :: 33.709 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 :: 8.220 HA :: 4.329 HB2 :: 2.087 HB3 :: 1.936 HG2 :: 2.327 HG3 :: 2.327 HE21 :: 7.546 HE22 :: 6.838 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.833 NE2 :: 112.704 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.2 A 0.06 R 0.02 C Shift Assignments>> C :: 175.306 CA :: 52.969 CB :: 41.683 CG :: 27.039 CD1 :: 25.129 CD2 :: 23.092 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 :: 8.313 HA :: 4.553 HB2 :: 1.538 HB3 :: 1.371 HG :: 1.597 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 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 :: 125.196 Ave N Shift Values>> N :: 121.98(4.07) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.061 CA :: 62.591 CB :: 32.164 CG :: 26.998 CD :: 50.283 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 :: 4.494 HB2 :: 2.223 HB3 :: 1.975 HG2 :: 1.897 HG3 :: 2.023 HD2 :: 3.549 HD3 :: 3.768 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.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 176.020 CA :: 58.013 CB :: 38.953 CD1 :: 133.004 CD2 :: 133.004 CE1 :: 118.019 CE2 :: 118.019 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 :: 8.060 HA :: 4.777 HB2 :: 2.986 HB3 :: 2.986 HD1 :: 7.088 HD2 :: 7.088 HE1 :: 6.758 HE2 :: 6.758 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 :: 118.869 Ave N Shift Values>> N :: 120.79(4.69) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.D88 1.D88 C Shift Assignments>> C :: 172.596 CA :: 57.846 CB :: 65.072 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.314 HA :: 4.549 HB2 :: 3.840 HB3 :: 3.809 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 :: 118.151 Ave N Shift Values>> N :: 116.3(3.95) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 176.190 CA :: 60.882 CB :: 34.058 CG1 :: 21.597 CG2 :: 20.911 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 :: 8.128 HA :: 5.190 HB :: 1.896 HG11 :: 0.822 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 121.319 Ave N Shift Values>> N :: 121.02(4.96) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.516 CA :: 61.289 CB :: 71.759 CG2 :: 21.634 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 :: 8.879 HA :: 4.552 HB :: 3.829 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 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 :: 120.799 Ave N Shift Values>> N :: 115.7(5.05) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.22 R 0.1 G 0.08 A 0.02 C Shift Assignments>> C :: 176.048 CA :: 53.857 CB :: 43.160 CG :: 27.292 CD1 :: 23.599 CD2 :: 25.473 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 :: 8.551 HA :: 5.164 HB2 :: 1.841 HB3 :: 1.289 HG :: 1.304 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 128.692 Ave N Shift Values>> N :: 121.98(4.07) 1.I19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.58 C 0.4 A 0.01 C Shift Assignments>> C :: 174.257 CA :: 58.966 CB :: 40.748 CG1 :: 26.670 CG2 :: 17.711 CD1 :: 13.602 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 :: 9.274 HA :: 4.643 HB :: 1.778 HG12 :: 1.131 HG13 :: 1.287 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 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 :: 103.757(S) Ave N Shift Values>> N :: 121.6(4.72) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.982 CA :: 56.845 CB :: 64.240 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.806 HA :: 5.128 HB2 :: 3.685 HB3 :: 3.624 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 :: 119.273 Ave N Shift Values>> N :: 116.3(3.95) 1.M21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.3 C 0.19 C Shift Assignments>> C :: 173.336 CA :: 52.364 CB :: 33.306 CG :: 33.038 CE :: 18.193 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 :: 9.472 HA :: 5.047 HB2 :: 2.158 HB3 :: 2.345 HG2 :: 2.510 HG3 :: 2.510 HE1 :: 1.941 HE2 :: 1.941 HE3 :: 1.941 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 :: 126.772 Ave N Shift Values>> N :: 120.1(3.88) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.290 CA :: 62.258 CB :: 32.800 CG :: 26.925 CD :: 51.273 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 :: 4.550 HB2 :: 2.320 HB3 :: 2.092 HG2 :: 2.050 HG3 :: 1.974 HD2 :: 3.942 HD3 :: 3.885 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.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.22 C 0.02 C Shift Assignments>> C :: 177.363 CA :: 52.782 CB :: 19.164 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.251 HA :: 4.183 HB1 :: 1.181 HB2 :: 1.181 HB3 :: 1.181 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.523 Ave N Shift Values>> N :: 123.23(3.7) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.16 A 0.01 C Shift Assignments>> C :: 173.509 CA :: 59.083 CB :: 70.334 CG2 :: 20.297 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 :: 8.690 HA :: 4.875 HB :: 4.268 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 114.857 Ave N Shift Values>> N :: 115.7(5.05) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.912 CA :: 62.329 CB :: 68.871 CG2 :: 21.807 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 :: 8.179 HA :: 4.276 HB :: 4.391 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 114.693 Ave N Shift Values>> N :: 115.7(5.05) 1.E26 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 0.08 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.371 CA :: 56.611 CB :: 30.234 CG :: 36.296 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 :: 8.267 HA :: 4.279 HB2 :: 1.963 HB3 :: 2.175 HG2 :: 2.341 HG3 :: 2.295 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 :: 122.151 Ave N Shift Values>> N :: 120.68(3.68) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 R 0.17 C 0.16 K 0.1 Q 0.09 E 0.07 H 0.06 L 0.05 P 0.02 HN Overlap>> 1.S113 1.S113 C Shift Assignments>> C :: 174.490 CA :: 59.535 CB :: 27.517 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.388 HA :: 4.373 HB2 :: 3.001 HB3 :: 3.001 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 :: 116.964 Ave N Shift Values>> N :: 119.95(4.79) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.14 G 0.06 C Shift Assignments>> C :: 175.570 CA :: 54.871 CB :: 31.642 CG :: 26.677 CD :: 43.160 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 :: 7.745 HA :: 4.458 HB2 :: 1.822 HB3 :: 1.641 HG2 :: 1.486 HG3 :: 1.486 HD2 :: 2.987 HD3 :: 3.041 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 :: 118.631 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.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.42 C 0.35 K 0.15 G 0.06 C Shift Assignments>> C :: 177.085 CA :: 55.967 CB :: 30.996 CG :: 27.403 CD :: 43.289 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 :: 8.690 HA :: 4.286 HB2 :: 1.734 HB3 :: 1.667 HG2 :: 1.547 HG3 :: 1.623 HD2 :: 3.274 HD3 :: 3.142 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) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 171.842 CA :: 46.335 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.529 HA2 :: 3.998 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.753 Ave N Shift Values>> N :: 109.91(4.29) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 172.013 CA :: 55.573 CB :: 41.151 CD1 :: 131.627 CD2 :: 131.627 CE1 :: 130.117 CE2 :: 130.117 CZ :: 128.657 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 :: 7.102 HA :: 5.332 HB2 :: 3.254 HB3 :: 3.030 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.975 HE2 :: 6.975 HZ :: 6.921 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 :: 113.873 Ave N Shift Values>> N :: 120.69(4.18) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.09 C Shift Assignments>> C :: 174.726 CA :: 55.558 CB :: 66.480 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.632 HA :: 4.731 HB2 :: 3.976 HB3 :: 3.821 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 :: 114.075 Ave N Shift Values>> N :: 116.3(3.95) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.1 V 0.08 A 0.01 C Shift Assignments>> C :: 175.168 CA :: 58.948 CB :: 35.797 CG1 :: 22.649 CG2 :: 18.097 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 :: 8.825 HA :: 5.523 HB :: 2.088 HG11 :: 0.829 HG12 :: 0.829 HG13 :: 0.829 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 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 :: 112.543 Ave N Shift Values>> N :: 121.02(4.96) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.430 CA :: 61.220 CB :: 70.703 CG2 :: 22.064 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 :: 9.259 HA :: 4.577 HB :: 3.974 HG21 :: 1.191 HG22 :: 1.191 HG23 :: 1.191 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 :: 116.808 Ave N Shift Values>> N :: 115.7(5.05) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.447 CA :: 61.230 CB :: 33.225 CG1 :: 22.954 CG2 :: 21.968 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 :: 8.966 HA :: 4.769 HB :: 2.122 HG11 :: 0.986 HG12 :: 0.986 HG13 :: 0.986 HG21 :: 0.955 HG22 :: 0.955 HG23 :: 0.955 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 :: 126.719 Ave N Shift Values>> N :: 121.02(4.96) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.29 M 0.25 Q 0.03 K 0.01 C Shift Assignments>> C :: 175.279 CA :: 55.087 CB :: 31.809 CG :: 36.203 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 :: 8.758 HA :: 4.682 HB2 :: 2.072 HB3 :: 1.927 HG2 :: 2.237 HG3 :: 2.178 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 :: 128.300 Ave N Shift Values>> N :: 120.68(3.68) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.214 CA :: 57.131 CB :: 65.658 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.758 HA :: 4.987 HB2 :: 3.730 HB3 :: 3.596 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 :: 117.126 Ave N Shift Values>> N :: 116.3(3.95) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 178.244 CA :: 52.257 CB :: 19.561 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.821 HA :: 4.588 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.198 Ave N Shift Values>> N :: 123.23(3.7) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.276 CA :: 59.415 CB :: 63.081 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.418 HA :: 4.375 HB2 :: 3.992 HB3 :: 3.992 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) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.740 CA :: 58.271 CB :: 63.740 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.109 HA :: 4.363 HB2 :: 4.127 HB3 :: 3.999 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 :: 115.183 Ave N Shift Values>> N :: 116.3(3.95) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.21 Y 0.13 D 0.12 F 0.09 E 0.04 L 0.02 M 0.01 I 0.01 C Shift Assignments>> C :: 174.510 CA :: 54.430 CB :: 38.235 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 :: 8.469 HA :: 4.540 HB2 :: 2.904 HB3 :: 2.762 HD21 :: 7.445 HD22 :: 7.095 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 :: 115.396 ND2 :: 112.615 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.39 C Shift Assignments>> C :: 175.863 CA :: 58.593 CB :: 39.800 CD1 :: 132.758 CD2 :: 132.758 CE1 :: 117.854 CE2 :: 117.854 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 :: 7.862 HA :: 4.728 HB2 :: 3.053 HB3 :: 2.685 HD1 :: 6.935 HD2 :: 6.935 HE1 :: 6.793 HE2 :: 6.793 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 :: 118.016 Ave N Shift Values>> N :: 120.79(4.69) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 C Shift Assignments>> C :: 176.132 CA :: 52.220 CB :: 18.571 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.766 HA :: 4.174 HB1 :: 1.177 HB2 :: 1.177 HB3 :: 1.177 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.510 Ave N Shift Values>> N :: 123.23(3.7) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.490 CA :: 63.616 CB :: 68.940 CG2 :: 22.933 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 :: 8.772 HA :: 4.329 HB :: 4.152 HG21 :: 1.234 HG22 :: 1.234 HG23 :: 1.234 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 :: 112.698 Ave N Shift Values>> N :: 115.7(5.05) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 172.592 CA :: 61.504 CB :: 71.959 CG2 :: 21.948 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 :: 7.639 HA :: 4.524 HB :: 3.965 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 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 :: 114.271 Ave N Shift Values>> N :: 115.7(5.05) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.L71 1.L71 C Shift Assignments>> C :: 173.846 CA :: 61.519 CB :: 33.625 CG1 :: 21.954 CG2 :: 22.430 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 :: 9.302 HA :: 4.792 HB :: 2.397 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 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 :: 126.210 Ave N Shift Values>> N :: 121.02(4.96) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.41 Q 0.06 E 0.05 C Shift Assignments>> C :: 175.360 CA :: 53.490 CB :: 33.333 CG :: 34.482 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 :: 8.796 HA :: 5.442 HB2 :: 1.965 HB3 :: 1.814 HG2 :: 2.200 HG3 :: 2.200 HE21 :: 7.615 HE22 :: 6.882 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 :: 125.854 NE2 :: 111.790 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 175.714 CA :: 64.138 CB :: 31.413 CG1 :: 22.466 CG2 :: 21.630 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 :: 9.287 HA :: 4.031 HB :: 2.303 HG11 :: 0.720 HG12 :: 0.720 HG13 :: 0.720 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 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 :: 124.355 Ave N Shift Values>> N :: 121.02(4.96) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 C Shift Assignments>> C :: 174.772 CA :: 57.332 CB :: 33.510 CG :: 24.749 CD :: 28.926 CE :: 42.015 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 :: 9.458 HA :: 4.488 HB2 :: 1.808 HB3 :: 1.714 HG2 :: 1.247 HG3 :: 1.377 HD2 :: 1.572 HD3 :: 1.636 HE2 :: 2.919 HE3 :: 2.919 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 :: 133.759 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.28 E 0.18 Q 0.01 C Shift Assignments>> C :: 174.065 CA :: 54.794 CB :: 32.968 CG :: 36.141 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.390 HA :: 4.608 HB2 :: 1.969 HB3 :: 1.913 HG2 :: 2.148 HG3 :: 2.126 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.057 Ave N Shift Values>> N :: 120.68(3.68) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 C Shift Assignments>> C :: 174.260 CA :: 61.185 CB :: 35.514 CG1 :: 21.156 CG2 :: 21.495 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 :: 8.594 HA :: 4.558 HB :: 1.872 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 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 :: 118.405 Ave N Shift Values>> N :: 121.02(4.96) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.12 Y 0.04 F 0.03 L 0.01 C Shift Assignments>> C :: 175.707 CA :: 51.686 CB :: 38.264 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 :: 8.918 HA :: 4.916 HB2 :: 2.877 HB3 :: 2.633 HD21 :: 7.432 HD22 :: 6.766 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 :: 125.240 ND2 :: 111.633 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.11 G 0.06 C Shift Assignments>> C :: 177.276 CA :: 59.725 CB :: 30.054 CG :: 28.327 CD :: 43.134 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 :: 8.682 HA :: 3.811 HB2 :: 1.757 HB3 :: 1.850 HG2 :: 1.754 HG3 :: 1.729 HD2 :: 3.247 HD3 :: 3.247 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 :: 121.539 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.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.45 A 0.07 C Shift Assignments>> C :: 177.245 CA :: 56.375 CB :: 30.967 CG :: 31.973 CE :: 16.698 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 :: 8.136 HA :: 4.349 HB2 :: 1.935 HB3 :: 1.935 HG2 :: 2.537 HG3 :: 2.409 HE1 :: 2.054 HE2 :: 2.054 HE3 :: 2.054 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 :: 114.126 Ave N Shift Values>> N :: 120.1(3.88) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.49 C Shift Assignments>> C :: 174.475 CA :: 55.453 CB :: 31.595 CD2 :: 118.102 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 :: 7.785 HA :: 4.739 HB2 :: 2.899 HB3 :: 3.341 HD2 :: 6.827 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 :: 117.566 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.R61 1.R61 C Shift Assignments>> C :: 175.095 CA :: 59.806 CB :: 38.911 CG1 :: 27.604 CG2 :: 17.587 CD1 :: 12.534 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 :: 7.493 HA :: 4.344 HB :: 1.847 HG12 :: 1.587 HG13 :: 1.342 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 121.046 Ave N Shift Values>> N :: 121.6(4.72) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.987 CA :: 57.722 CB :: 62.579 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.693 HA :: 4.635 HB2 :: 4.145 HB3 :: 4.069 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 :: 124.103 Ave N Shift Values>> N :: 116.3(3.95) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 66.063 CB :: 32.112 CG :: 27.611 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 :: 4.041 HB2 :: 2.013 HB3 :: 2.370 HG2 :: 2.015 HG3 :: 2.212 HD2 :: 3.929 HD3 :: 3.869 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.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 N 0.17 E 0.15 Y 0.15 F 0.08 M 0.04 D 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 175.785 CA :: 55.277 CB :: 37.324 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>> HA :: 4.490 HB2 :: 2.827 HB3 :: 2.802 HD21 :: 7.627 HD22 :: 6.994 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>> ND2 :: 113.686 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.05 K 0.03 C Shift Assignments>> C :: 176.310 CA :: 52.651 CB :: 40.395 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 :: 7.831 HA :: 5.000 HB2 :: 2.723 HB3 :: 2.633 HD21 :: 7.540 HD22 :: 6.862 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 :: 116.151 ND2 :: 111.461 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.11 K 0.06 HN Overlap>> 1.I56 1.I56 C Shift Assignments>> C :: 175.380 CA :: 59.934 CB :: 30.430 CG :: 27.436 CD :: 43.498 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 :: 7.560 HA :: 3.749 HB2 :: 1.759 HB3 :: 1.908 HG2 :: 1.699 HG3 :: 1.757 HD2 :: 3.207 HD3 :: 3.096 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 :: 120.980 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.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.19 C 0.14 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 174.632 CA :: 52.347 CB :: 38.963 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 :: 8.426 HA :: 4.906 HB2 :: 2.986 HB3 :: 2.583 HD21 :: 7.638 HD22 :: 6.920 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 :: 114.253 ND2 :: 113.357 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.16 L 0.06 C 0.05 C Shift Assignments>> C :: 174.927 CA :: 52.052 CB :: 20.795 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.552 HA :: 4.370 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.659 Ave N Shift Values>> N :: 123.23(3.7) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 172.087 CA :: 59.394 CB :: 40.955 CG1 :: 28.086 CG2 :: 15.170 CD1 :: 13.211 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 :: 6.518 HA :: 4.250 HB :: 1.260 HG12 :: 0.579 HG13 :: 1.285 HG21 :: 0.504 HG22 :: 0.504 HG23 :: 0.504 HD11 :: 0.125 HD12 :: 0.125 HD13 :: 0.125 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 :: 114.227 Ave N Shift Values>> N :: 121.6(4.72) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> C :: 172.439 CA :: 53.447 CB :: 31.791 CD2 :: 119.876 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 :: 8.400 HA :: 4.926 HB2 :: 3.098 HB3 :: 2.842 HD2 :: 6.852 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 :: 124.258 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.956 CA :: 63.868 CB :: 31.430 CG :: 28.885 CD :: 50.897 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 :: 3.884 HB2 :: 2.341 HB3 :: 1.979 HG2 :: 1.877 HG3 :: 2.369 HD2 :: 3.780 HD3 :: 3.703 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.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.490 CA :: 44.855 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.104 HA2 :: 4.560 HA3 :: 3.632 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.041 Ave N Shift Values>> N :: 109.91(4.29) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 L 0.18 K 0.15 F 0.12 C 0.12 Y 0.1 N 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 175.551 CA :: 55.635 CB :: 41.084 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 :: 8.038 HA :: 4.820 HB2 :: 2.659 HB3 :: 2.707 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 :: 122.014 Ave N Shift Values>> N :: 120.73(4.2) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 R 0.32 K 0.28 G 0.04 C Shift Assignments>> C :: 175.721 CA :: 55.442 CB :: 32.029 CG :: 28.800 CD :: 43.102 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 :: 8.618 HA :: 5.116 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.590 HG3 :: 1.868 HD2 :: 3.369 HD3 :: 3.254 HE :: 7.392 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 :: 119.743 NE :: 83.609 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.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.119 CA :: 60.671 CB :: 38.296 CG1 :: 27.941 CG2 :: 19.038 CD1 :: 14.082 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 :: 8.738 HA :: 4.337 HB :: 1.611 HG12 :: 1.475 HG13 :: 0.836 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 HD11 :: 0.715 HD12 :: 0.715 HD13 :: 0.715 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 :: 122.534 Ave N Shift Values>> N :: 121.6(4.72) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.28 R 0.13 G 0.11 A 0.06 HN Overlap>> 1.V46 1.V46 C Shift Assignments>> C :: 179.672 CA :: 56.056 CB :: 43.603 CG :: 27.307 CD1 :: 25.389 CD2 :: 21.701 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 :: 9.308 HA :: 4.512 HB2 :: 1.627 HB3 :: 1.710 HG :: 1.646 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 126.320 Ave N Shift Values>> N :: 121.98(4.07) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.15 E 0.05 C Shift Assignments>> C :: 174.845 CA :: 54.996 CB :: 34.692 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 :: 7.453 HA :: 5.011 HB2 :: 1.466 HB3 :: 1.811 HG2 :: 1.906 HG3 :: 2.076 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.327 Ave N Shift Values>> N :: 120.68(3.68) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 HN Overlap>> 1.D111 1.D111 C Shift Assignments>> C :: 175.352 CA :: 60.114 CB :: 40.748 CG1 :: 27.827 CG2 :: 16.994 CD1 :: 14.931 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 :: 8.317 HA :: 4.513 HB :: 1.393 HG12 :: 1.370 HG13 :: 0.806 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 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 :: 120.800 Ave N Shift Values>> N :: 121.6(4.72) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.23 E 0.15 Y 0.1 M 0.07 F 0.05 D 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.757 CA :: 54.428 CB :: 36.845 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 :: 9.997 HA :: 4.467 HB2 :: 3.046 HB3 :: 2.987 HD21 :: 7.824 HD22 :: 7.316 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 :: 128.211 ND2 :: 113.760 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.903 CA :: 45.223 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.098 HA2 :: 4.106 HA3 :: 3.693 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.582 Ave N Shift Values>> N :: 109.91(4.29) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 172.421 CA :: 59.509 CB :: 70.673 CG2 :: 21.773 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 :: 7.940 HA :: 4.784 HB :: 4.110 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 118.193 Ave N Shift Values>> N :: 115.7(5.05) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.38 S 0.01 C Shift Assignments>> C :: 179.152 CA :: 62.916 CB :: 32.676 CG :: 27.919 CD :: 52.065 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 :: 4.836 HB2 :: 2.622 HB3 :: 1.966 HG2 :: 2.210 HG3 :: 2.019 HD2 :: 4.102 HD3 :: 3.719 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.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 175.896 CA :: 65.622 CB :: 31.142 CG1 :: 22.374 CG2 :: 18.724 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 :: 8.026 HA :: 3.814 HB :: 2.135 HG11 :: 0.826 HG12 :: 0.826 HG13 :: 0.826 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 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 :: 121.142 Ave N Shift Values>> N :: 121.02(4.96) 1.R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.08 G 0.07 L 0.03 C Shift Assignments>> C :: 176.904 CA :: 56.995 CB :: 29.366 CG :: 27.879 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 :: 7.883 HA :: 4.845 HB2 :: 1.930 HB3 :: 1.883 HG2 :: 1.593 HG3 :: 1.758 HD2 :: 3.250 HD3 :: 3.250 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 :: 114.432 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.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.723 CA :: 61.265 CB :: 69.590 CG2 :: 21.906 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 :: 7.665 HA :: 4.324 HB :: 4.408 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 108.029 Ave N Shift Values>> N :: 115.7(5.05) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.3 C 0.18 A 0.04 R 0.04 C Shift Assignments>> C :: 176.028 CA :: 53.482 CB :: 44.235 CG :: 26.204 CD1 :: 26.543 CD2 :: 23.142 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 :: 8.044 HA :: 4.714 HB2 :: 2.032 HB3 :: 1.410 HG :: 1.666 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 HD21 :: 0.856 HD22 :: 0.856 HD23 :: 0.856 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 :: 123.698 Ave N Shift Values>> N :: 121.98(4.07) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.32 K 0.25 G 0.03 C Shift Assignments>> C :: 179.125 CA :: 55.498 CB :: 31.035 CG :: 28.472 CD :: 42.939 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 :: 4.538 HB2 :: 2.087 HB3 :: 1.538 HG2 :: 1.609 HG3 :: 1.116 HD2 :: 3.040 HD3 :: 3.040 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 :: 120.304 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.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C 0.01 C Shift Assignments>> C :: 178.062 CA :: 68.105 CB :: 31.580 CG1 :: 20.895 CG2 :: 21.915 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 :: 8.421 HA :: 3.354 HB :: 2.017 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 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 :: 122.101 Ave N Shift Values>> N :: 121.02(4.96) 1.E84 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 0.03 C Shift Assignments>> C :: 178.755 CA :: 59.507 CB :: 28.519 CG :: 36.214 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 :: 9.430 HA :: 4.162 HB2 :: 1.997 HB3 :: 2.039 HG2 :: 2.332 HG3 :: 2.332 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.252 Ave N Shift Values>> N :: 120.68(3.68) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.29 I 0.2 M 0.03 C Shift Assignments>> C :: 180.169 CA :: 58.652 CB :: 30.841 CG :: 37.955 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.132 HA :: 4.207 HB2 :: 2.102 HB3 :: 2.601 HG2 :: 2.346 HG3 :: 2.303 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.895 Ave N Shift Values>> N :: 120.68(3.68) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 176.815 CA :: 66.955 CB :: 31.517 CG1 :: 21.570 CG2 :: 23.232 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 :: 7.744 HA :: 3.401 HB :: 2.391 HG11 :: 0.823 HG12 :: 0.823 HG13 :: 0.823 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 120.986 Ave N Shift Values>> N :: 121.02(4.96) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.25 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.624 CA :: 59.812 CB :: 29.588 CG :: 36.504 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.911 HA :: 3.804 HB2 :: 2.047 HB3 :: 1.956 HG2 :: 2.417 HG3 :: 2.070 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 :: 115.889 Ave N Shift Values>> N :: 120.68(3.68) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.17 Y 0.16 C 0.14 L 0.13 D 0.08 R 0.04 I 0.03 N 0.01 HN Overlap>> 1.S15 1.S15 C Shift Assignments>> C :: 177.870 CA :: 57.461 CB :: 41.084 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 :: 8.218 HA :: 4.378 HB2 :: 2.780 HB3 :: 2.582 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.183 Ave N Shift Values>> N :: 120.73(4.2) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.050 CA :: 54.933 CB :: 17.864 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.611 HA :: 4.107 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.107 Ave N Shift Values>> N :: 123.23(3.7) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.18 C Shift Assignments>> C :: 177.375 CA :: 63.090 CB :: 37.357 CG1 :: 28.548 CG2 :: 17.626 CD1 :: 12.603 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 :: 7.516 HA :: 3.729 HB :: 1.962 HG12 :: 1.568 HG13 :: 1.436 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 114.257 Ave N Shift Values>> N :: 121.6(4.72) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.37 R 0.21 M 0.02 C Shift Assignments>> C :: 177.486 CA :: 57.773 CB :: 33.210 CG :: 25.253 CD :: 29.508 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 :: 7.796 HA :: 4.211 HB2 :: 1.910 HB3 :: 1.965 HG2 :: 1.557 HG3 :: 1.557 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 2.971 HE3 :: 2.971 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 :: 118.112 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.19 R 0.19 E 0.02 M 0.01 C Shift Assignments>> C :: 176.531 CA :: 55.512 CB :: 26.796 CG :: 33.155 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 :: 7.432 HA :: 4.499 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 2.534 HG3 :: 2.485 HE21 :: 7.598 HE22 :: 6.720 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 :: 118.909 NE2 :: 111.753 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.050 CA :: 63.105 CB :: 68.321 CG2 :: 22.317 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 :: 8.202 HA :: 4.100 HB :: 4.561 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 115.882 Ave N Shift Values>> N :: 115.7(5.05) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.522 CA :: 59.218 CB :: 63.293 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.018 HA :: 4.486 HB2 :: 4.074 HB3 :: 3.926 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 :: 113.605 Ave N Shift Values>> N :: 116.3(3.95) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.31 Q 0.15 K 0.04 E 0.03 C Shift Assignments>> C :: 175.139 CA :: 53.715 CB :: 31.776 CG :: 33.179 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 :: 7.845 HA :: 4.769 HB2 :: 2.202 HB3 :: 1.926 HG2 :: 2.337 HG3 :: 2.337 HE21 :: 7.522 HE22 :: 6.864 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.440 NE2 :: 112.199 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T96 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 :: 173.482 CA :: 63.277 CB :: 69.493 CG2 :: 22.128 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 :: 8.538 HA :: 4.293 HB :: 4.070 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 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 :: 118.073 Ave N Shift Values>> N :: 115.7(5.05) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 C 0.19 L 0.18 R 0.03 A 0.01 C Shift Assignments>> C :: 174.197 CA :: 53.703 CB :: 45.300 CG :: 27.437 CD1 :: 23.908 CD2 :: 26.705 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 :: 8.722 HA :: 5.025 HB2 :: 1.548 HB3 :: 1.773 HG :: 1.355 HD11 :: 0.958 HD12 :: 0.958 HD13 :: 0.958 HD21 :: 1.063 HD22 :: 1.063 HD23 :: 1.063 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 :: 128.638 Ave N Shift Values>> N :: 121.98(4.07) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.3 Q 0.16 E 0.14 K 0.05 C Shift Assignments>> C :: 175.341 CA :: 54.280 CB :: 31.489 CG :: 34.607 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 :: 8.816 HA :: 5.405 HB2 :: 1.978 HB3 :: 2.023 HG2 :: 2.298 HG3 :: 2.201 HE21 :: 7.269 HE22 :: 6.842 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 :: 126.220 NE2 :: 111.210 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.22 L 0.21 C Shift Assignments>> C :: 174.063 CA :: 52.853 CB :: 46.201 CG :: 26.539 CD1 :: 26.530 CD2 :: 24.736 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 :: 9.139 HA :: 5.136 HB2 :: 1.706 HB3 :: 1.147 HG :: 1.499 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 124.051 Ave N Shift Values>> N :: 121.98(4.07) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.21 C 0.2 R 0.08 A 0.02 C Shift Assignments>> C :: 175.349 CA :: 54.173 CB :: 44.110 CG :: 27.347 CD1 :: 25.679 CD2 :: 23.416 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 :: 8.148 HA :: 5.112 HB2 :: 1.814 HB3 :: 1.435 HG :: 1.213 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 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 :: 125.768 Ave N Shift Values>> N :: 121.98(4.07) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 173.951 CA :: 59.519 CB :: 41.093 CG1 :: 27.506 CG2 :: 17.928 CD1 :: 13.755 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 :: 9.284 HA :: 5.045 HB :: 1.727 HG12 :: 1.419 HG13 :: 0.999 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 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 :: 127.769 Ave N Shift Values>> N :: 121.6(4.72) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.17 E 0.12 C Shift Assignments>> C :: 174.296 CA :: 54.552 CB :: 33.564 CG :: 37.058 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 :: 9.490 HA :: 5.041 HB2 :: 2.166 HB3 :: 1.835 HG2 :: 1.921 HG3 :: 2.088 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 :: 128.251 Ave N Shift Values>> N :: 120.68(3.68) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.57 C 0.42 C Shift Assignments>> C :: 172.935 CA :: 54.241 CB :: 30.612 CD2 :: 121.401 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 :: 8.895 HA :: 4.999 HB2 :: 3.182 HB3 :: 2.949 HD2 :: 6.948 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 :: 125.965 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.16 C 0.13 K 0.05 F 0.03 Y 0.02 R 0.02 C Shift Assignments>> C :: 173.811 CA :: 51.435 CB :: 41.456 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 :: 8.553 HA :: 4.958 HB2 :: 2.747 HB3 :: 2.345 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 :: 125.366 Ave N Shift Values>> N :: 120.73(4.2) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.790 CA :: 62.977 CB :: 32.248 CG :: 27.112 CD :: 50.495 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 :: 4.292 HB2 :: 2.167 HB3 :: 1.911 HG2 :: 1.961 HG3 :: 1.961 HD2 :: 3.531 HD3 :: 3.840 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.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 174.356 CA :: 60.364 CB :: 32.169 CG1 :: 21.052 CG2 :: 20.865 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 :: 8.110 HA :: 4.276 HB :: 2.076 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 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 :: 121.858 Ave N Shift Values>> N :: 121.02(4.96) 1.P107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 176.950 CA :: 63.304 CB :: 32.017 CG :: 27.430 CD :: 50.831 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 :: 4.363 HB2 :: 2.268 HB3 :: 1.841 HG2 :: 2.004 HG3 :: 1.959 HD2 :: 3.811 HD3 :: 3.621 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.Q108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.04 C Shift Assignments>> C :: 175.935 CA :: 55.786 CB :: 29.616 CG :: 33.803 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 :: 8.391 HA :: 4.264 HB2 :: 2.051 HB3 :: 1.953 HG2 :: 2.365 HG3 :: 2.365 HE21 :: 7.570 HE22 :: 6.863 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 :: 120.541 NE2 :: 112.759 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 K 0.11 G 0.06 C Shift Assignments>> C :: 176.254 CA :: 55.986 CB :: 30.850 CG :: 27.009 CD :: 43.288 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 :: 8.381 HA :: 4.332 HB2 :: 1.855 HB3 :: 1.756 HG2 :: 1.616 HG3 :: 1.580 HD2 :: 3.188 HD3 :: 3.188 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 :: 122.743 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.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.101 CA :: 55.194 CB :: 42.325 CG :: 27.076 CD1 :: 24.827 CD2 :: 23.414 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 :: 8.415 HA :: 4.360 HB2 :: 1.631 HB3 :: 1.586 HG :: 1.593 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 124.034 Ave N Shift Values>> N :: 121.98(4.07) 1.D111 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 0.08 Y 0.07 R 0.02 HN Overlap>> 1.I73 1.I73 C Shift Assignments>> C :: 176.216 CA :: 54.248 CB :: 40.928 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 :: 8.378 HA :: 4.578 HB2 :: 2.679 HB3 :: 2.679 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 :: 120.776 Ave N Shift Values>> N :: 120.73(4.2) 1.Q112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.08 R 0.04 C Shift Assignments>> C :: 175.986 CA :: 55.711 CB :: 29.428 CG :: 33.803 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 :: 8.290 HA :: 4.398 HB2 :: 2.188 HB3 :: 1.972 HG2 :: 2.368 HG3 :: 2.368 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 :: 120.649 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C27 1.C27 C Shift Assignments>> C :: 174.603 CA :: 58.699 CB :: 64.017 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.381 HA :: 4.466 HB2 :: 3.892 HB3 :: 3.892 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 :: 116.980 Ave N Shift Values>> N :: 116.3(3.95) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.753 CA :: 44.656 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.233 HA2 :: 4.178 HA3 :: 4.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.641 Ave N Shift Values>> N :: 109.91(4.29) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.412 CA :: 63.239 CB :: 32.190 CG :: 27.195 CD :: 49.761 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 :: 4.482 HB2 :: 2.295 HB3 :: 2.007 HG2 :: 2.026 HG3 :: 2.026 HD2 :: 3.636 HD3 :: 3.636 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.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.690 CA :: 58.347 CB :: 63.895 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.557 HA :: 4.492 HB2 :: 3.906 HB3 :: 3.906 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 :: 116.539 Ave N Shift Values>> N :: 116.3(3.95) 1.S117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.933 CA :: 58.379 CB :: 63.927 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.362 HA :: 4.484 HB2 :: 3.898 HB3 :: 3.898 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 :: 117.974 Ave N Shift Values>> N :: 116.3(3.95) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.018 CA :: 46.223 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.040 HA2 :: 3.771 HA3 :: 3.771 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.863 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 117 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 113 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 483 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 782 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 114 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I19 N = 103.757(S), Expected = 121.60, Std = 4.7200, ChiSquare = 1.5664e-04