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: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.712 CA :: 58.372 CB :: 63.767 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.962 CA :: 58.383 CB :: 64.105 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.346 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 :: 117.890 Ave N Shift Values>> N :: 116.3(3.95) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 179.025 CA :: 46.351 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.054 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.882 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 175.037 CA :: 58.650 CB :: 63.834 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.516 HB2 :: 3.928 HB3 :: 3.928 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 0.86 L 0.09 R 0.03 C Shift Assignments>> C :: 174.342 CA :: 45.423 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.476 HA2 :: 4.037 HA3 :: 4.037 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.945 Ave N Shift Values>> N :: 109.91(4.29) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.458 CA :: 61.716 CB :: 69.960 CG2 :: 21.637 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 :: 8.095 HA :: 4.399 HB :: 4.236 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 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 :: 113.290 Ave N Shift Values>> N :: 115.7(5.05) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.24 Y 0.1 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 175.113 CA :: 53.302 CB :: 38.964 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 :: 8.561 HA :: 4.779 HB2 :: 2.839 HB3 :: 2.775 HD21 :: 7.616 HD22 :: 6.934 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 :: 120.990 ND2 :: 112.969 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.15 F 0.11 Y 0.1 N 0.08 R 0.03 HN Overlap>> 1.M62 1.E12 1.M62 1.E12 C Shift Assignments>> C :: 176.512 CA :: 54.959 CB :: 41.096 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 :: 8.384 HA :: 4.565 HB2 :: 2.716 HB3 :: 2.669 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 :: 121.134 Ave N Shift Values>> N :: 120.73(4.2) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 I 0.2 K 0.1 M 0.07 Q 0.03 C Shift Assignments>> C :: 177.827 CA :: 58.277 CB :: 29.880 CG :: 36.530 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 :: 8.423 HA :: 4.121 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.299 HG3 :: 2.299 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.450 Ave N Shift Values>> N :: 120.68(3.68) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.2 K 0.09 M 0.07 Q 0.03 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 178.191 CA :: 58.234 CB :: 29.972 CG :: 36.593 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 :: 8.401 HA :: 4.251 HB2 :: 2.053 HB3 :: 2.053 HG2 :: 2.322 HG3 :: 2.248 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 :: 121.137 Ave N Shift Values>> N :: 120.68(3.68) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.409 CA :: 64.268 CB :: 69.483 CG2 :: 21.794 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 :: 8.171 HA :: 4.146 HB :: 4.409 HG21 :: 1.264 HG22 :: 1.264 HG23 :: 1.264 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 :: 115.434 Ave N Shift Values>> N :: 115.7(5.05) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.638 CA :: 64.507 CB :: 37.439 CG1 :: 28.723 CG2 :: 17.488 CD1 :: 12.710 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 :: 8.097 HA :: 3.647 HB :: 1.934 HG12 :: 1.586 HG13 :: 1.169 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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 :: 122.228 Ave N Shift Values>> N :: 121.6(4.72) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 Q 0.31 R 0.16 E 0.08 I 0.03 M 0.02 P 0.02 C Shift Assignments>> C :: 178.736 CA :: 59.146 CB :: 27.902 CG :: 33.431 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 :: 8.156 HA :: 4.035 HB2 :: 2.170 HB3 :: 2.091 HG2 :: 2.472 HG3 :: 2.452 HE21 :: 7.389 HE22 :: 6.908 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 :: 118.568 NE2 :: 111.177 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 E 0.17 R 0.08 I 0.06 M 0.02 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 179.347 CA :: 59.096 CB :: 28.336 CG :: 34.088 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 :: 8.082 HA :: 3.975 HB2 :: 2.262 HB3 :: 2.138 HG2 :: 2.528 HG3 :: 2.480 HE21 :: 7.545 HE22 :: 6.860 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 :: 117.826 NE2 :: 112.220 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 Q 0.2 K 0.2 I 0.1 M 0.07 R 0.01 C Shift Assignments>> C :: 179.112 CA :: 59.196 CB :: 29.664 CG :: 35.001 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 :: 8.073 HA :: 4.003 HB2 :: 2.262 HB3 :: 1.992 HG2 :: 2.602 HG3 :: 2.262 HE21 :: 6.977 HE22 :: 6.804 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 :: 119.656 NE2 :: 110.685 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F76 1.V84 1.M62 1.F76 1.V84 1.M62 C Shift Assignments>> C :: 180.063 CA :: 65.455 CB :: 38.107 CG1 :: 30.119 CG2 :: 17.003 CD1 :: 14.403 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 :: 8.267 HA :: 3.526 HB :: 1.967 HG12 :: 1.948 HG13 :: 0.808 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 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 :: 121.061 Ave N Shift Values>> N :: 121.6(4.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.14 G 0.01 C Shift Assignments>> C :: 179.412 CA :: 58.227 CB :: 41.728 CG :: 27.220 CD1 :: 25.355 CD2 :: 22.761 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 :: 8.430 HA :: 4.149 HB2 :: 1.874 HB3 :: 1.614 HG :: 1.850 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.982 HD22 :: 0.982 HD23 :: 0.982 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 :: 122.601 Ave N Shift Values>> N :: 121.98(4.07) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.39 I 0.01 C Shift Assignments>> C :: 180.105 CA :: 53.857 CB :: 18.274 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.590 HA :: 4.215 HB1 :: 1.493 HB2 :: 1.493 HB3 :: 1.493 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.380 Ave N Shift Values>> N :: 123.23(3.7) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 R 0.33 G 0.08 C Shift Assignments>> C :: 180.162 CA :: 57.022 CB :: 42.986 CG :: 26.200 CD1 :: 27.322 CD2 :: 23.255 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 :: 7.751 HA :: 4.049 HB2 :: 2.347 HB3 :: 1.025 HG :: 2.077 HD11 :: 0.497 HD12 :: 0.497 HD13 :: 0.497 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 117.987 Ave N Shift Values>> N :: 121.98(4.07) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.222 CA :: 60.485 CB :: 62.655 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.434 HA :: 4.348 HB2 :: 3.970 HB3 :: 3.778 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 :: 109.715 Ave N Shift Values>> N :: 116.3(3.95) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 C Shift Assignments>> C :: 177.159 CA :: 52.520 CB :: 19.397 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.286 HA :: 4.292 HB1 :: 1.468 HB2 :: 1.468 HB3 :: 1.468 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.092 Ave N Shift Values>> N :: 123.23(3.7) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.19 R 0.18 G 0.14 K 0.05 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.432 CA :: 52.555 CB :: 43.269 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.224 HA :: 5.008 HB2 :: 2.989 HB3 :: 2.447 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 :: 116.145 Ave N Shift Values>> N :: 120.73(4.2) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.2 M 0.07 G 0.01 C Shift Assignments>> C :: 177.828 CA :: 58.938 CB :: 32.758 CG :: 24.135 CD :: 29.692 CE :: 41.940 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 :: 9.097 HA :: 4.462 HB2 :: 1.971 HB3 :: 1.898 HG2 :: 1.679 HG3 :: 1.384 HD2 :: 1.648 HD3 :: 1.648 HE2 :: 2.951 HE3 :: 2.951 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 :: 126.068 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.16 K 0.08 L 0.02 C Shift Assignments>> C :: 177.710 CA :: 59.513 CB :: 29.767 CG :: 27.137 CD :: 43.474 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 :: 8.793 HA :: 3.884 HB2 :: 1.810 HB3 :: 1.671 HG2 :: 1.691 HG3 :: 1.691 HD2 :: 3.274 HD3 :: 3.103 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.140 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.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 Y 0.22 F 0.16 D 0.13 E 0.09 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 172.740 CA :: 55.163 CB :: 38.182 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 :: 7.542 HA :: 4.182 HB2 :: 2.396 HB3 :: 1.866 HD21 :: 8.770 HD22 :: 7.736 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 :: 113.045 ND2 :: 120.898 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.336 CA :: 57.838 CB :: 41.127 CD1 :: 132.073 CD2 :: 132.073 CE1 :: 131.938 CE2 :: 131.938 CZ :: 128.063 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 :: 7.224 HA :: 4.049 HB2 :: 2.554 HB3 :: 2.522 HD1 :: 6.119 HD2 :: 6.119 HE1 :: 6.582 HE2 :: 6.582 HZ :: 6.762 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 :: 113.598 Ave N Shift Values>> N :: 120.69(4.18) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.19 R 0.07 A 0.01 C Shift Assignments>> C :: 177.739 CA :: 55.220 CB :: 43.767 CG :: 26.451 CD1 :: 25.433 CD2 :: 23.520 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 :: 7.297 HA :: 4.247 HB2 :: 1.585 HB3 :: 1.585 HG :: 1.795 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 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 :: 114.809 Ave N Shift Values>> N :: 121.98(4.07) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.14 K 0.09 L 0.03 C Shift Assignments>> C :: 174.691 CA :: 55.148 CB :: 30.263 CG :: 26.952 CD :: 43.486 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 :: 7.243 HA :: 4.387 HB2 :: 1.780 HB3 :: 1.700 HG2 :: 1.711 HG3 :: 1.583 HD2 :: 3.113 HD3 :: 3.113 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 :: 118.480 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.24 Y 0.09 F 0.07 L 0.05 E 0.01 C Shift Assignments>> C :: 174.055 CA :: 53.082 CB :: 38.996 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 :: 8.306 HA :: 4.856 HB2 :: 2.644 HB3 :: 2.261 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 :: 127.184 Ave N Shift Values>> N :: 120.73(4.2) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.98 G 0.01 C Shift Assignments>> CA :: 61.566 CB :: 28.904 CG :: 27.830 CD :: 49.616 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 :: 3.975 HB2 :: 1.243 HB3 :: 0.692(S) HG2 :: 1.585 HG3 :: 1.009 HD2 :: 3.979 HD3 :: 3.204 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.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.979 CA :: 62.518 CB :: 32.089 CG :: 27.483 CD :: 50.701 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 :: 4.245 HB2 :: 2.283 HB3 :: 1.829 HG2 :: 1.995 HG3 :: 1.995 HD2 :: 3.636 HD3 :: 3.144 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.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.37 I 0.01 C Shift Assignments>> C :: 179.276 CA :: 53.700 CB :: 18.195 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.326 HA :: 4.080 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.757 Ave N Shift Values>> N :: 123.23(3.7) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.627 CA :: 45.330 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.663 HA2 :: 4.109 HA3 :: 3.707 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.082 Ave N Shift Values>> N :: 109.91(4.29) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.597 CA :: 62.251 CB :: 32.336 CG1 :: 21.502 CG2 :: 21.155 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 :: 7.442 HA :: 4.072 HB :: 2.053 HG11 :: 0.878 HG12 :: 0.878 HG13 :: 0.878 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 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 :: 119.362 Ave N Shift Values>> N :: 121.02(4.96) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.1 E 0.09 M 0.06 C Shift Assignments>> C :: 174.602 CA :: 54.915 CB :: 28.602 CG :: 33.695 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 :: 8.735 HA :: 4.414 HB2 :: 2.051 HB3 :: 1.996 HG2 :: 2.295 HG3 :: 2.271 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 :: 126.748 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 173.568 CA :: 56.913 CB :: 40.073 CD1 :: 131.875 CD2 :: 131.875 CE1 :: 131.960 CE2 :: 131.960 CZ :: 129.541 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 :: 8.655 HA :: 4.889 HB2 :: 2.995 HB3 :: 2.770 HD1 :: 7.315 HD2 :: 7.315 HE1 :: 7.498 HE2 :: 7.498 HZ :: 7.277 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 :: 126.219 Ave N Shift Values>> N :: 120.69(4.18) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.18 Y 0.09 F 0.07 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 173.043 CA :: 53.097 CB :: 38.476 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 :: 8.581 HA :: 4.571 HB2 :: 2.613 HB3 :: 2.559 HD21 :: 7.548 HD22 :: 6.908 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 :: 128.161 ND2 :: 113.294 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 172.381 CA :: 57.526 CB :: 41.813 CD1 :: 132.366 CD2 :: 132.366 CE1 :: 131.711 CE2 :: 131.711 CZ :: 128.609 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 :: 8.334 HA :: 4.308 HB2 :: 2.857 HB3 :: 2.807 HD1 :: 7.498 HD2 :: 7.498 HE1 :: 7.473 HE2 :: 7.473 HZ :: 7.458 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 :: 124.706 Ave N Shift Values>> N :: 120.69(4.18) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.2 L 0.19 K 0.07 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 174.913 CA :: 51.732 CB :: 41.482 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.953 HA :: 4.613 HB2 :: 2.636 HB3 :: 2.226 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 :: 129.445 Ave N Shift Values>> N :: 120.73(4.2) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.186 CA :: 61.122 CB :: 39.241 CD1 :: 131.724 CD2 :: 131.724 CE1 :: 131.098 CE2 :: 131.098 CZ :: 129.890 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 :: 8.839 HA :: 3.650 HB2 :: 3.368 HB3 :: 3.020 HD1 :: 7.422 HD2 :: 7.422 HE1 :: 7.292 HE2 :: 7.292 HZ :: 6.906 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 :: 126.061 Ave N Shift Values>> N :: 120.69(4.18) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 L 0.12 D 0.12 K 0.09 I 0.06 N 0.02 R 0.01 C Shift Assignments>> C :: 178.671 CA :: 57.337 CB :: 40.323 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 :: 8.115 HA :: 4.117 HB2 :: 2.673 HB3 :: 2.544 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 :: 116.559 Ave N Shift Values>> N :: 120.73(4.2) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.19 M 0.07 R 0.06 I 0.01 C Shift Assignments>> C :: 177.792 CA :: 57.426 CB :: 29.230 CG :: 33.964 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 :: 7.377 HA :: 3.972 HB2 :: 1.974 HB3 :: 1.778 HG2 :: 2.312 HG3 :: 2.132 HE21 :: 7.476 HE22 :: 6.693 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 :: 116.591 NE2 :: 112.299 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.13 C Shift Assignments>> C :: 177.825 CA :: 53.919 CB :: 30.998 CG :: 31.759 CE :: 15.090 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 :: 7.552 HA :: 4.529 HB2 :: 1.538 HB3 :: 1.461 HG2 :: 2.242 HG3 :: 2.189 HE1 :: 1.426 HE2 :: 1.426 HE3 :: 1.426 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 :: 114.647 Ave N Shift Values>> N :: 120.1(3.88) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.136 CA :: 62.516 CB :: 35.017 CD1 :: 132.737 CD2 :: 132.737 CE1 :: 117.773 CE2 :: 117.773 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 :: 8.316 HA :: 3.934 HB2 :: 2.583 HB3 :: 2.188 HD1 :: 6.662 HD2 :: 6.662 HE1 :: 6.791 HE2 :: 6.791 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 :: 124.209 Ave N Shift Values>> N :: 120.79(4.69) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.497 CA :: 66.021 CB :: 31.135 CG :: 28.621 CD :: 50.245 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 :: 3.927 HB2 :: 2.254 HB3 :: 1.657 HG2 :: 2.003 HG3 :: 1.861 HD2 :: 3.556 HD3 :: 3.407 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.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.171 CA :: 65.316 CB :: 31.640 CG1 :: 21.469 CG2 :: 21.754 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 :: 6.806 HA :: 3.637 HB :: 2.324 HG11 :: 1.111 HG12 :: 1.111 HG13 :: 1.111 HG21 :: 0.971 HG22 :: 0.971 HG23 :: 0.971 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.132 Ave N Shift Values>> N :: 121.02(4.96) 1.A49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.85 A 0.07 I 0.06 C Shift Assignments>> C :: 178.642 CA :: 55.693 CB :: 15.365 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.902 HA :: 3.647 HB1 :: 0.186(S) HB2 :: 0.186(S) HB3 :: 0.186(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.837 Ave N Shift Values>> N :: 123.23(3.7) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 180.513 CA :: 57.903 CB :: 41.645 CG :: 25.959 CD1 :: 25.152 CD2 :: 22.289 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 :: 7.741 HA :: 3.775 HB2 :: 1.532 HB3 :: 1.209 HG :: 0.994 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 HD21 :: 0.612 HD22 :: 0.612 HD23 :: 0.612 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 :: 113.570 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.896 CA :: 66.299 CB :: 31.801 CG1 :: 21.319 CG2 :: 22.524 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 :: 7.019 HA :: 3.687 HB :: 2.232 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 119.548 Ave N Shift Values>> N :: 121.02(4.96) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 179.314 CA :: 59.479 CB :: 32.083 CG :: 32.869 CE :: 17.730 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 :: 8.082 HA :: 4.192 HB2 :: 2.342 HB3 :: 2.233 HG2 :: 3.048 HG3 :: 2.673 HE1 :: 2.272 HE2 :: 2.272 HE3 :: 2.272 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 :: 120.310 Ave N Shift Values>> N :: 120.1(3.88) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 R 0.15 G 0.07 C Shift Assignments>> C :: 178.206 CA :: 57.672 CB :: 42.889 CG :: 26.514 CD1 :: 26.099 CD2 :: 23.842 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 :: 8.559 HA :: 4.044 HB2 :: 2.024 HB3 :: 1.568 HG :: 2.120 HD11 :: 1.056 HD12 :: 1.056 HD13 :: 1.056 HD21 :: 1.030 HD22 :: 1.030 HD23 :: 1.030 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 :: 118.037 Ave N Shift Values>> N :: 121.98(4.07) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 E 0.18 R 0.07 M 0.05 I 0.02 C Shift Assignments>> C :: 177.411 CA :: 57.439 CB :: 28.885 CG :: 33.976 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 :: 7.299 HA :: 4.102 HB2 :: 2.290 HB3 :: 2.235 HG2 :: 2.590 HG3 :: 2.465 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 :: 115.034 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.27 Q 0.06 K 0.06 I 0.04 C Shift Assignments>> C :: 175.934 CA :: 56.681 CB :: 31.193 CG :: 36.200 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.485 HA :: 4.388 HB2 :: 2.181 HB3 :: 1.980 HG2 :: 2.434 HG3 :: 2.267 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 :: 116.000 Ave N Shift Values>> N :: 120.68(3.68) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.11 N 0.09 R 0.09 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.222 CA :: 52.696 CB :: 42.098 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.752 HA :: 4.871 HB2 :: 3.107 HB3 :: 2.464 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 :: 120.021 Ave N Shift Values>> N :: 120.73(4.2) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.22 K 0.1 M 0.07 Q 0.04 C Shift Assignments>> C :: 179.042 CA :: 58.887 CB :: 29.931 CG :: 36.283 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 :: 8.733 HA :: 4.199 HB2 :: 2.119 HB3 :: 2.031 HG2 :: 2.350 HG3 :: 2.307 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 :: 124.981 Ave N Shift Values>> N :: 120.68(3.68) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 179.791 CA :: 57.670 CB :: 40.502 CG :: 27.345 CD1 :: 24.655 CD2 :: 23.512 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 :: 8.119 HA :: 4.153 HB2 :: 2.010 HB3 :: 1.581 HG :: 1.708 HD11 :: 0.941 HD12 :: 0.941 HD13 :: 0.941 HD21 :: 0.839 HD22 :: 0.839 HD23 :: 0.839 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 :: 120.114 Ave N Shift Values>> N :: 121.98(4.07) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.18 G 0.01 C Shift Assignments>> C :: 178.506 CA :: 57.784 CB :: 41.638 CG :: 27.198 CD1 :: 22.955 CD2 :: 25.737 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 :: 7.746 HA :: 3.891 HB2 :: 2.160 HB3 :: 1.669 HG :: 1.493 HD11 :: 0.500 HD12 :: 0.500 HD13 :: 0.500 HD21 :: 0.990 HD22 :: 0.990 HD23 :: 0.990 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 :: 124.830 Ave N Shift Values>> N :: 121.98(4.07) 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 :: 177.614 CA :: 61.553 CB :: 62.671 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.762 HA :: 4.065 HB2 :: 4.106 HB3 :: 4.106 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 :: 112.071 Ave N Shift Values>> N :: 116.3(3.95) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 G 0.01 M 0.01 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 179.623 CA :: 59.860 CB :: 32.639 CG :: 25.786 CD :: 29.472 CE :: 42.115 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.080 HA :: 4.117 HB2 :: 1.979 HB3 :: 1.924 HG2 :: 1.735 HG3 :: 1.477 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.955 HE3 :: 2.955 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 :: 121.238 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.9 A 0.09 HN Overlap>> 1.V84 1.D10 1.V84 1.D10 1.I18 1.I18 C Shift Assignments>> C :: 177.597 CA :: 56.958 CB :: 30.397 CG :: 31.512 CE :: 16.570 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 :: 8.271 HA :: 4.259 HB2 :: 2.067 HB3 :: 1.571 HG2 :: 2.074 HG3 :: 1.873 HE1 :: 1.949 HE2 :: 1.949 HE3 :: 1.949 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 :: 121.137 Ave N Shift Values>> N :: 120.1(3.88) 1.R63 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.51 K 0.26 L 0.12 G 0.08 C Shift Assignments>> C :: 177.770 CA :: 59.429 CB :: 28.687 CG :: 26.561 CD :: 43.049 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 :: 8.194 HA :: 2.959 HB2 :: 1.710 HB3 :: 1.122 HG2 :: 1.044 HG3 :: 0.528(S) HD2 :: 3.022 HD3 :: 2.794 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 :: 120.284 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 HN Overlap>> 1.V71 1.V71 C Shift Assignments>> C :: 177.323 CA :: 60.536 CB :: 38.939 CD1 :: 131.821 CD2 :: 131.821 CE1 :: 129.819 CE2 :: 129.819 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 :: 7.742 HA :: 4.326 HB2 :: 3.141 HB3 :: 3.141 HD1 :: 7.335 HD2 :: 7.335 HE1 :: 7.296 HE2 :: 7.296 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 :: 116.804 Ave N Shift Values>> N :: 120.69(4.18) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> C :: 180.143 CA :: 54.256 CB :: 18.879 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.785 HA :: 4.108 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.797 Ave N Shift Values>> N :: 123.23(3.7) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 R 0.24 G 0.16 C Shift Assignments>> C :: 176.416 CA :: 56.722 CB :: 43.738 CG :: 27.519 CD1 :: 25.924 CD2 :: 23.604 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 :: 7.976 HA :: 4.389 HB2 :: 1.705 HB3 :: 1.545 HG :: 2.018 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.382 Ave N Shift Values>> N :: 121.98(4.07) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 A 0.09 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 176.663 CA :: 57.849 CB :: 33.084 CG1 :: 20.152 CG2 :: 21.734 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 :: 8.158 HA :: 5.146 HB :: 1.906 HG11 :: 0.793 HG12 :: 0.793 HG13 :: 0.793 HG21 :: 0.291 HG22 :: 0.291 HG23 :: 0.291 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 :: 121.227 Ave N Shift Values>> N :: 121.02(4.96) 1.P68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 G 0.43 A 0.04 C Shift Assignments>> C :: 177.221 CA :: 63.889 CB :: 33.753 CG :: 24.031 CD :: 48.627 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 5.299 HB2 :: 2.250 HB3 :: 2.087 HG2 :: 2.023 HG3 :: 1.644 HD2 :: 3.586 HD3 :: 3.382 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.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.25 M 0.01 G 0.01 C Shift Assignments>> C :: 177.135 CA :: 60.357 CB :: 32.891 CG :: 25.383 CD :: 29.188 CE :: 41.895 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 :: 7.928 HA :: 3.869 HB2 :: 1.760 HB3 :: 1.641 HG2 :: 1.440 HG3 :: 1.336 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.650 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 R 0.29 G 0.18 A 0.01 C Shift Assignments>> C :: 176.727 CA :: 55.698 CB :: 43.818 CG :: 28.373 CD1 :: 25.426 CD2 :: 23.617 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 :: 8.436 HA :: 4.629 HB2 :: 1.987 HB3 :: 1.576 HG :: 1.643 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.921 HD22 :: 0.921 HD23 :: 0.921 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.737 Ave N Shift Values>> N :: 121.98(4.07) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.03 A 0.01 HN Overlap>> 1.F64 1.F64 C Shift Assignments>> C :: 172.484 CA :: 59.561 CB :: 35.191 CG1 :: 22.720 CG2 :: 20.678 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 :: 7.710 HA :: 4.467 HB :: 2.125 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 1.063 HG22 :: 1.063 HG23 :: 1.063 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 :: 116.792 Ave N Shift Values>> N :: 121.02(4.96) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 M 0.02 G 0.01 C Shift Assignments>> C :: 178.382 CA :: 55.852 CB :: 33.768 CG :: 25.508 CD :: 29.168 CE :: 42.257 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 :: 7.979 HA :: 4.422 HB2 :: 2.075 HB3 :: 1.757 HG2 :: 1.628 HG3 :: 1.628 HD2 :: 1.776 HD3 :: 1.776 HE2 :: 3.056 HE3 :: 3.056 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.779 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 E 0.4 K 0.06 M 0.02 Q 0.02 C Shift Assignments>> C :: 177.652 CA :: 60.937 CB :: 29.746 CG :: 36.236 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 :: 9.139 HA :: 3.746 HB2 :: 2.239 HB3 :: 2.062 HG2 :: 2.732 HG3 :: 2.440 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 :: 124.678 Ave N Shift Values>> N :: 120.68(3.68) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 E 0.37 K 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 178.103 CA :: 60.463 CB :: 28.783 CG :: 36.001 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 :: 9.674 HA :: 3.816 HB2 :: 1.841 HB3 :: 1.771 HG2 :: 2.108 HG3 :: 1.807 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 :: 115.299 Ave N Shift Values>> N :: 120.68(3.68) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.907 CA :: 66.160 CB :: 32.511 CG1 :: 22.073 CG2 :: 23.191 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 :: 6.779 HA :: 3.564 HB :: 2.123 HG11 :: 1.027 HG12 :: 1.027 HG13 :: 1.027 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 120.452 Ave N Shift Values>> N :: 121.02(4.96) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 HN Overlap>> 1.V84 1.I18 1.V84 1.I18 C Shift Assignments>> C :: 176.920 CA :: 61.734 CB :: 39.080 CZ :: 129.284 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 :: 8.187 HA :: 4.077 HB2 :: 3.315 HB3 :: 2.641 HZ :: 5.932 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.045 Ave N Shift Values>> N :: 120.69(4.18) 1.W77 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 177.494 CA :: 59.350 CB :: 30.546 CD1 :: 130.232(A) CE3 :: 122.386 CZ2 :: 113.909 CZ3 :: 121.864 CH2 :: 124.257 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 :: 8.013 HA :: 5.006 HB2 :: 4.032 HB3 :: 3.542 HD1 :: 7.900 HE1 :: 11.404 HE3 :: 7.853 HZ2 :: 7.304 HZ3 :: 6.831 HH2 :: 7.006 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 :: 114.563 NE1 :: 129.457 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R78 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.57 K 0.29 L 0.08 G 0.03 C Shift Assignments>> C :: 178.312 CA :: 60.508 CB :: 28.589 CG :: 27.302 CD :: 42.148 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 :: 8.122 HA :: 2.581(S) HB2 :: 1.895 HB3 :: 1.806 HG2 :: 1.886 HG3 :: 1.326 HD2 :: 3.478 HD3 :: 3.247 HE :: 7.379 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 :: 123.675 NE :: 81.345 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 M 0.16 Y 0.14 K 0.09 N 0.07 F 0.05 Q 0.03 I 0.03 C Shift Assignments>> C :: 177.289 CA :: 55.973 CB :: 36.158 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 :: 8.612 HA :: 4.191 HB2 :: 2.973 HB3 :: 2.428 HD21 :: 7.008 HD22 :: 6.806 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 :: 119.140 ND2 :: 109.041 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.682 CA :: 61.476 CB :: 38.961 CD1 :: 132.753 CD2 :: 132.753 CE1 :: 117.788 CE2 :: 117.788 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 :: 7.869 HA :: 3.607 HB2 :: 2.823 HB3 :: 2.635 HD1 :: 6.090 HD2 :: 6.090 HE1 :: 6.499 HE2 :: 6.499 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 :: 120.595 Ave N Shift Values>> N :: 120.79(4.69) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 179.485 CA :: 63.439 CB :: 37.010 CD1 :: 132.247 CD2 :: 132.247 CE1 :: 131.517 CE2 :: 131.517 CZ :: 129.779 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 :: 9.466 HA :: 4.089 HB2 :: 3.546 HB3 :: 3.424 HD1 :: 7.889 HD2 :: 7.889 HE1 :: 7.518 HE2 :: 7.518 HZ :: 7.186 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 :: 115.869 Ave N Shift Values>> N :: 120.69(4.18) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.342 CA :: 60.780 CB :: 37.158 CD1 :: 132.579 CD2 :: 132.579 CE1 :: 117.798 CE2 :: 117.798 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 :: 8.596 HA :: 3.190 HB2 :: 2.795 HB3 :: 2.353 HD1 :: 6.378 HD2 :: 6.378 HE1 :: 6.590 HE2 :: 6.590 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 :: 124.651 Ave N Shift Values>> N :: 120.79(4.69) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.14 G 0.14 L 0.02 C Shift Assignments>> C :: 179.531 CA :: 59.714 CB :: 28.869 CG :: 28.904 CD :: 43.029 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 :: 7.076 HA :: 3.415 HB2 :: 1.688 HB3 :: 1.580 HG2 :: 1.711 HG3 :: 1.711 HD2 :: 3.174 HD3 :: 3.028 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 :: 120.281 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.V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F76 1.F76 1.M62 1.I18 1.M62 1.I18 C Shift Assignments>> C :: 177.785 CA :: 67.154 CB :: 31.830 CG1 :: 21.411 CG2 :: 22.657 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 :: 8.229 HA :: 3.162 HB :: 1.993 HG11 :: 0.867 HG12 :: 0.867 HG13 :: 0.867 HG21 :: 0.147 HG22 :: 0.147 HG23 :: 0.147 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 :: 121.043 Ave N Shift Values>> N :: 121.02(4.96) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.381 CA :: 61.947 CB :: 62.467 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.134 HA :: 4.165 HB2 :: 4.205 HB3 :: 4.101 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 :: 116.235 Ave N Shift Values>> N :: 116.3(3.95) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 A 0.06 R 0.02 G 0.01 C Shift Assignments>> C :: 180.050 CA :: 57.205 CB :: 41.534 CG :: 25.737 CD1 :: 24.945 CD2 :: 21.700 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 :: 7.112 HA :: 3.926 HB2 :: 1.590 HB3 :: 1.283 HG :: 1.186 HD11 :: 0.499 HD12 :: 0.499 HD13 :: 0.499 HD21 :: 0.585 HD22 :: 0.585 HD23 :: 0.585 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 :: 121.688 Ave N Shift Values>> N :: 121.98(4.07) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.690 CA :: 64.438 CB :: 38.373 CG1 :: 28.873 CG2 :: 18.516 CD1 :: 14.610 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 :: 7.333 HA :: 3.652 HB :: 1.858 HG12 :: 1.595 HG13 :: 1.005 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 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 :: 120.958 Ave N Shift Values>> N :: 121.6(4.72) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.41 M 0.01 G 0.01 C Shift Assignments>> C :: 178.184 CA :: 59.417 CB :: 32.523 CG :: 26.269 CD :: 29.510 CE :: 41.905 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.110 HA :: 3.947 HB2 :: 1.907 HB3 :: 1.817 HG2 :: 1.601 HG3 :: 1.292 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.881 HE3 :: 2.813 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 :: 118.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.2 R 0.06 M 0.04 I 0.02 HN Overlap>> 1.Q16 1.Q92 1.Q16 1.Q92 C Shift Assignments>> C :: 177.275 CA :: 57.402 CB :: 28.838 CG :: 34.132 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 :: 8.065 HA :: 4.222 HB2 :: 2.154 HB3 :: 2.154 HG2 :: 2.499 HG3 :: 2.432 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 :: 117.875 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.886 CA :: 59.872 CB :: 63.402 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.911 HA :: 4.329 HB2 :: 3.961 HB3 :: 3.961 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 :: 115.148 Ave N Shift Values>> N :: 116.3(3.95) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 C Shift Assignments>> C :: 177.805 CA :: 52.958 CB :: 19.315 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.830 HA :: 4.328 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.267 Ave N Shift Values>> N :: 123.23(3.7) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.17 M 0.08 R 0.06 HN Overlap>> 1.Q89 1.Q89 C Shift Assignments>> C :: 176.233 CA :: 56.106 CB :: 29.174 CG :: 33.974 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 :: 8.043 HA :: 4.292 HB2 :: 2.139 HB3 :: 2.037 HG2 :: 2.398 HG3 :: 2.398 HE21 :: 7.517 HE22 :: 6.859 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 :: 117.970 NE2 :: 112.343 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.11 G 0.03 A 0.02 C Shift Assignments>> C :: 177.764 CA :: 55.485 CB :: 42.364 CG :: 27.055 CD1 :: 24.993 CD2 :: 23.385 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 :: 8.142 HA :: 4.413 HB2 :: 1.716 HB3 :: 1.624 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.877 HD22 :: 0.877 HD23 :: 0.877 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 :: 122.382 Ave N Shift Values>> N :: 121.98(4.07) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.555 CA :: 61.721 CB :: 69.855 CG2 :: 21.528 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 :: 8.093 HA :: 4.403 HB :: 4.281 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 113.905 Ave N Shift Values>> N :: 115.7(5.05) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.535 CA :: 58.292 CB :: 64.065 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.267 HA :: 4.528 HB2 :: 3.897 HB3 :: 3.897 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 :: 117.679 Ave N Shift Values>> N :: 116.3(3.95) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.788 CA :: 44.738 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.242 HA2 :: 4.110 HA3 :: 4.110 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.681 Ave N Shift Values>> N :: 109.91(4.29) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.262 CB :: 32.210 CG :: 27.196 CD :: 49.799 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 :: 4.476 HB2 :: 2.291 HB3 :: 1.973 HG2 :: 2.007 HG3 :: 2.007 HD2 :: 3.632 HD3 :: 3.632 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.S98 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S99 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 2 C Shift Results: #Consistent: 439 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 99 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P32 HB3 = 0.692(S), Expected = 2.05, Std = 0.3900, ChiSquare = 4.9759e-04 1.A49 HB1 = 0.186(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.7882e-06 1.A49 HB2 = 0.186(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.7882e-06 1.A49 HB3 = 0.186(S), Expected = 1.38, Std = 0.2500, ChiSquare = 1.7882e-06 1.R63 HG3 = 0.528(S), Expected = 1.58, Std = 0.2700, ChiSquare = 9.7675e-05 1.R63 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.W77 CD1 = 130.232(A), Expected = 126.16, Std = 1.7600, ChiSquare = 2.0688e-02 1.R78 HA = 2.581(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2372e-04 1.R78 SRO Rule Break>> HA > HD2 : 0.991153846153846