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: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.801 CA :: 58.330 CB :: 63.885 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.717 HA :: 4.584 HB2 :: 3.917 HB3 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.830 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 175.104 CA :: 58.650 CB :: 63.944 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.576 HA :: 4.505 HB2 :: 3.917 HB3 :: 3.917 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.112 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 0.79 L 0.08 C 0.08 R 0.02 HN Overlap>> 1.G61 1.G61 C Shift Assignments>> C :: 174.400 CA :: 45.455 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.467 HA2 :: 4.034 HA3 :: 4.034 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.931 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.898 CA :: 58.364 CB :: 63.986 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.270 HA :: 4.505 HB2 :: 3.890 HB3 :: 3.890 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 :: 115.739 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.995 CA :: 58.739 CB :: 63.887 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.420 HA :: 4.481 HB2 :: 3.889 HB3 :: 3.889 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 :: 117.908 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.914 CA :: 45.338 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.352 HA2 :: 3.927 HA3 :: 3.927 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.456 Ave N Shift Values>> N :: 109.91(4.29) 1.Y8 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 :: 175.978 CA :: 58.032 CB :: 38.868 CD1 :: 133.214 CD2 :: 133.214 CE1 :: 118.266 CE2 :: 118.266 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 :: 8.038 HA :: 4.604 HB2 :: 3.060 HB3 :: 2.979 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.822 HE2 :: 6.822 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 :: 120.081 Ave N Shift Values>> N :: 120.79(4.69) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.266 CA :: 58.011 CB :: 63.971 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.218 HA :: 4.489 HB2 :: 3.847 HB3 :: 3.847 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 :: 117.975 Ave N Shift Values>> N :: 116.3(3.95) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.792 CA :: 62.671 CB :: 32.589 CG1 :: 21.200 CG2 :: 20.770 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 :: 8.150 HA :: 4.148 HB :: 2.130 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 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 :: 122.590 Ave N Shift Values>> N :: 121.02(4.96) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.19 G 0.01 C Shift Assignments>> C :: 176.670 CA :: 56.657 CB :: 32.833 CG :: 24.913 CD :: 29.254 CE :: 42.211 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 :: 8.408 HA :: 4.466 HB2 :: 1.887 HB3 :: 1.827 HG2 :: 1.529 HG3 :: 1.509 HD2 :: 1.747 HD3 :: 1.747 HE2 :: 3.052 HE3 :: 3.052 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.843 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 W 0.29 C Shift Assignments>> C :: 177.714 CA :: 57.801 CB :: 29.236 CD1 :: 124.589 CE3 :: 120.497 CZ2 :: 112.004 CZ3 :: 120.640 CH2 :: 122.016 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 :: 8.955 HA :: 4.657 HB2 :: 3.105 HB3 :: 2.883 HD1 :: 7.258 HE1 :: 10.137 HE3 :: 6.582 HZ2 :: 6.858 HZ3 :: 6.502 HH2 :: 6.569 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 :: 126.499 NE1 :: 128.341 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.760 CA :: 60.562 CB :: 71.278 CG2 :: 21.866 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 :: 9.399 HA :: 4.501 HB :: 4.819 HG21 :: 1.302 HG22 :: 1.302 HG23 :: 1.302 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 :: 115.467 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 0.9 C 0.09 C Shift Assignments>> C :: 178.067 CA :: 64.725 CB :: 37.731 CG1 :: 29.008 CG2 :: 17.432 CD1 :: 13.182 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 :: 8.744 HA :: 3.880 HB :: 1.947 HG12 :: 1.690 HG13 :: 1.391 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 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 :: 120.582 Ave N Shift Values>> N :: 121.6(4.72) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.26 E 0.25 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.196 CA :: 60.232 CB :: 28.622 CG :: 35.857 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 :: 8.492 HA :: 4.152 HB2 :: 2.141 HB3 :: 1.964 HG2 :: 2.513 HG3 :: 2.363 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 :: 120.023 Ave N Shift Values>> N :: 120.68(3.68) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.3 E 0.28 K 0.01 C Shift Assignments>> C :: 178.940 CA :: 60.155 CB :: 30.653 CG :: 37.370 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 :: 7.882 HA :: 3.812 HB2 :: 2.360 HB3 :: 1.738 HG2 :: 2.361 HG3 :: 1.660 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.462 Ave N Shift Values>> N :: 120.68(3.68) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.29 K 0.24 G 0.01 C Shift Assignments>> C :: 180.143 CA :: 61.140 CB :: 32.589 CG :: 26.358 CD :: 30.149 CE :: 42.097 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 :: 8.573 HA :: 3.965 HB2 :: 2.125 HB3 :: 2.069 HG2 :: 1.965 HG3 :: 1.491 HD2 :: 1.775 HD3 :: 1.753 HE2 :: 3.049 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 :: 118.555 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.22 K 0.18 Q 0.16 I 0.09 R 0.02 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 179.706 CA :: 59.176 CB :: 28.571 CG :: 34.928 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 :: 8.475 HA :: 4.305 HB2 :: 2.340 HB3 :: 2.167 HG2 :: 2.674 HG3 :: 2.479 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 :: 120.560 Ave N Shift Values>> N :: 120.68(3.68) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 C 0.33 R 0.23 G 0.08 C Shift Assignments>> C :: 179.281 CA :: 58.240 CB :: 43.295 CG :: 27.483 CD1 :: 26.347 CD2 :: 22.578 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 :: 8.406 HA :: 4.157 HB2 :: 2.112 HB3 :: 1.277 HG :: 1.921 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 121.585 Ave N Shift Values>> N :: 121.98(4.07) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.23 C Shift Assignments>> C :: 176.197 CA :: 62.848 CB :: 38.941 CD1 :: 131.903 CD2 :: 131.903 CE1 :: 131.010 CE2 :: 131.010 CZ :: 128.233 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 :: 8.571 HA :: 4.074 HB2 :: 3.476 HB3 :: 3.315 HD1 :: 7.037 HD2 :: 7.037 HE1 :: 6.540 HE2 :: 6.540 HZ :: 6.853 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 :: 120.377 Ave N Shift Values>> N :: 120.69(4.18) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.32 E 0.23 K 0.02 C Shift Assignments>> C :: 180.069 CA :: 60.436 CB :: 29.332 CG :: 37.226 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 :: 7.786 HA :: 3.740 HB2 :: 2.373 HB3 :: 2.219 HG2 :: 2.824 HG3 :: 2.452 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 :: 117.947 Ave N Shift Values>> N :: 120.68(3.68) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.23 K 0.23 E 0.14 R 0.05 I 0.04 HN Overlap>> 1.E18 1.E18 C Shift Assignments>> C :: 179.110 CA :: 58.859 CB :: 28.632 CG :: 34.148 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 :: 8.503 HA :: 4.072 HB2 :: 2.218 HB3 :: 2.100 HG2 :: 2.622 HG3 :: 2.294 HE21 :: 7.467 HE22 :: 6.800 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 :: 120.567 NE2 :: 110.631 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.27 P 0.12 A 0.06 N 0.02 L 0.02 C Shift Assignments>> C :: 174.388 CA :: 47.858 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.981 HA2 :: 3.643 HA3 :: 3.643 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.137 Ave N Shift Values>> N :: 109.91(4.29) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.32 R 0.07 G 0.02 C Shift Assignments>> C :: 180.434 CA :: 57.466 CB :: 42.319 CG :: 26.532 CD1 :: 25.540 CD2 :: 25.020 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 :: 8.529 HA :: 4.139 HB2 :: 1.489 HB3 :: 1.309 HG :: 1.322 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 124.218 Ave N Shift Values>> N :: 121.98(4.07) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.05 I 0.05 C Shift Assignments>> C :: 179.256 CA :: 54.758 CB :: 18.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.504 HA :: 4.065 HB1 :: 1.479 HB2 :: 1.479 HB3 :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 123.23(3.7) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.14 C Shift Assignments>> C :: 178.419 CA :: 58.407 CB :: 33.620 CG :: 24.748 CD :: 29.242 CE :: 41.850 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 :: 7.683 HA :: 3.952 HB2 :: 1.123 HB3 :: 0.850(S) HG2 :: 1.061 HG3 :: 0.762 HD2 :: 1.303 HD3 :: 1.253 HE2 :: 2.796 HE3 :: 2.796 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.109 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 HN Overlap>> 1.T42 1.T42 C Shift Assignments>> C :: 177.362 CA :: 56.466 CB :: 40.788 CD1 :: 131.673 CD2 :: 131.673 CE1 :: 131.437 CE2 :: 131.437 CZ :: 130.286 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 :: 8.790 HA :: 5.002 HB2 :: 3.216 HB3 :: 2.868 HD1 :: 7.197 HD2 :: 7.197 HE1 :: 7.322 HE2 :: 7.322 HZ :: 7.384 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.442 Ave N Shift Values>> N :: 120.69(4.18) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.084 CA :: 45.323 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.966 HA2 :: 4.015 HA3 :: 3.810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.551 Ave N Shift Values>> N :: 109.91(4.29) 1.R29 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 L 0.27 R 0.22 G 0.16 K 0.03 C Shift Assignments>> C :: 175.565 CA :: 54.912 CB :: 27.446 CG :: 27.670 CD :: 43.746 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 :: 8.178 HA :: 3.175 HB2 :: 1.345 HB3 :: 1.319 HG2 :: 1.631 HG3 :: 1.334 HD2 :: 3.191 HD3 :: 3.129 HE :: 7.138 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 :: 121.113 NE :: 85.086 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.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.28 G 0.16 L 0.1 K 0.06 C Shift Assignments>> C :: 176.695 CA :: 53.575 CB :: 29.271 CG :: 26.794 CD :: 43.663 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 :: 7.312 HA :: 4.275 HB2 :: 1.792 HB3 :: 1.460 HG2 :: 1.643 HG3 :: 1.451 HD2 :: 3.184 HD3 :: 3.184 HE :: 7.242 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 :: 122.027 NE :: 85.391 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.W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> C :: 178.540 CA :: 59.036 CB :: 31.002 CD1 :: 129.625 CE3 :: 121.009 CZ2 :: 115.093 CZ3 :: 121.024 CH2 :: 123.844 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 :: 7.175 HA :: 4.684 HB2 :: 3.482 HB3 :: 3.356 HD1 :: 7.510 HE1 :: 10.510 HE3 :: 7.428 HZ2 :: 7.702 HZ3 :: 6.951 HH2 :: 7.272 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.150 NE1 :: 130.588 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.937 CA :: 66.113 CB :: 67.818 CG2 :: 22.362 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 :: 8.664 HA :: 4.062 HB :: 4.326 HG21 :: 1.344 HG22 :: 1.344 HG23 :: 1.344 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 :: 113.115 Ave N Shift Values>> N :: 115.7(5.05) 1.K33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.26 C Shift Assignments>> C :: 179.196 CA :: 58.542 CB :: 31.033 CG :: 25.132 CD :: 28.596 CE :: 41.824 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.886 HA :: 3.760 HB2 :: 1.261 HB3 :: 0.404(S) HG2 :: 1.137 HG3 :: 1.048 HD2 :: 1.236 HD3 :: 1.209 HE2 :: 2.678 HE3 :: 2.678 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 :: 121.317 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 177.326 CA :: 66.729 CB :: 38.841 CG1 :: 31.172 CG2 :: 18.847 CD1 :: 13.323 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 :: 7.871 HA :: 3.745 HB :: 2.032 HG12 :: 2.041 HG13 :: 0.699 HG21 :: 1.273 HG22 :: 1.273 HG23 :: 1.273 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.997 Ave N Shift Values>> N :: 121.6(4.72) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.034 CB :: 63.382 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.616 HA :: 4.108 HB2 :: 4.032 HB3 :: 3.955 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 :: 113.435 Ave N Shift Values>> N :: 116.3(3.95) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.23 G 0.01 C Shift Assignments>> C :: 178.176 CA :: 58.918 CB :: 32.159 CG :: 25.156 CD :: 28.913 CE :: 42.180 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 :: 7.635 HA :: 4.106 HB2 :: 1.908 HB3 :: 1.908 HG2 :: 1.590 HG3 :: 1.508 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.975 HE3 :: 2.975 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.122 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 L 0.34 R 0.24 G 0.05 K 0.01 C Shift Assignments>> C :: 177.629 CA :: 57.759 CB :: 42.931 CG :: 27.240 CD1 :: 23.762 CD2 :: 26.786 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 :: 7.475 HA :: 4.224 HB2 :: 2.253 HB3 :: 1.793 HG :: 1.698 HD11 :: 1.081 HD12 :: 1.081 HD13 :: 1.081 HD21 :: 1.025 HD22 :: 1.025 HD23 :: 1.025 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 :: 120.124 Ave N Shift Values>> N :: 121.98(4.07) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.16 C Shift Assignments>> C :: 178.747 CA :: 64.759 CB :: 39.972 CG1 :: 28.599 CG2 :: 18.389 CD1 :: 16.873 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 :: 8.227 HA :: 3.829 HB :: 1.688 HG12 :: 2.063 HG13 :: 1.123 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 HD11 :: 1.131 HD12 :: 1.131 HD13 :: 1.131 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.045 Ave N Shift Values>> N :: 121.6(4.72) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.17 L 0.04 C Shift Assignments>> C :: 176.100 CA :: 46.977 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.700 HA2 :: 3.638 HA3 :: 4.378 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.305 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 173.805 CA :: 57.973 CB :: 62.955 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.532 HA :: 4.395 HB2 :: 4.154 HB3 :: 3.547 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 :: 111.606 Ave N Shift Values>> N :: 116.3(3.95) 1.R41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.02 G 0.02 A 0.02 C Shift Assignments>> C :: 175.663 CA :: 52.237 CB :: 33.913 CG :: 24.135 CD :: 41.933 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 :: 6.611 HA :: 4.989 HB2 :: 1.378 HB3 :: 1.147 HG2 :: 0.626(S) HG3 :: -0.145(S) HD2 :: 2.805 HD3 :: 2.018(S) HE :: 6.379 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 :: 117.545 NE :: 84.929 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> 1.F27 1.F27 C Shift Assignments>> C :: 175.250 CA :: 60.639 CB :: 71.443 CG2 :: 21.604 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 :: 8.833 HA :: 4.349 HB :: 4.832 HG21 :: 1.311 HG22 :: 1.311 HG23 :: 1.311 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 :: 114.495 Ave N Shift Values>> N :: 115.7(5.05) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.544 CA :: 68.071 CB :: 31.519 CG1 :: 24.102 CG2 :: 21.410 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 :: 3.629 HB :: 2.200 HG11 :: 1.247 HG12 :: 1.247 HG13 :: 1.247 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 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 :: 120.764 Ave N Shift Values>> N :: 121.02(4.96) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 R 0.05 C Shift Assignments>> C :: 180.483 CA :: 58.451 CB :: 41.736 CG :: 27.212 CD1 :: 24.675 CD2 :: 23.882 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.098 HA :: 4.058 HB2 :: 1.744 HB3 :: 1.592 HG :: 1.764 HD11 :: 0.978 HD12 :: 0.978 HD13 :: 0.978 HD21 :: 0.928 HD22 :: 0.928 HD23 :: 0.928 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 :: 118.890 Ave N Shift Values>> N :: 121.98(4.07) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.29 K 0.14 Q 0.12 I 0.09 C Shift Assignments>> C :: 180.179 CA :: 59.116 CB :: 29.490 CG :: 35.260 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 :: 7.726 HA :: 4.240 HB2 :: 2.537 HB3 :: 2.130 HG2 :: 2.594 HG3 :: 2.575 HE21 :: 7.594 HE22 :: 7.079 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 :: 118.646 NE2 :: 112.016 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.13 C Shift Assignments>> C :: 176.731 CA :: 67.641 CB :: 31.702 CG1 :: 23.281 CG2 :: 24.904 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 :: 9.055 HA :: 3.890 HB :: 2.576 HG11 :: 1.470 HG12 :: 1.470 HG13 :: 1.470 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 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 :: 122.751 Ave N Shift Values>> N :: 121.02(4.96) 1.K47 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.22 G 0.01 C Shift Assignments>> C :: 179.038 CA :: 60.452 CB :: 32.352 CG :: 25.629 CD :: 29.902 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 :: 8.610 HA :: 2.944 HB2 :: 1.638 HB3 :: 1.638 HG2 :: 1.378 HG3 :: 0.648 HD2 :: 1.676 HD3 :: 1.599 HE2 :: 2.981 HE3 :: 2.911 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.742 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE2 : 0.9935) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.636 CB :: 62.890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.926 HA :: 4.136 HB2 :: 4.020 HB3 :: 3.960 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 :: 114.038 Ave N Shift Values>> N :: 116.3(3.95) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 177.763 CA :: 61.636 CB :: 39.332 CD1 :: 131.876 CD2 :: 131.876 CE1 :: 116.481 CE2 :: 116.481 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 :: 8.029 HA :: 3.626 HB2 :: 2.303 HB3 :: 2.206 HD1 :: 5.032 HD2 :: 5.032 HE1 :: 5.726 HE2 :: 5.726 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 :: 124.321 Ave N Shift Values>> N :: 120.79(4.69) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 C 0.06 I 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 178.248 CA :: 54.771 CB :: 18.739 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.607 HA :: 3.564 HB1 :: 1.230 HB2 :: 1.230 HB3 :: 1.230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.154 Ave N Shift Values>> N :: 123.23(3.7) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.05 C Shift Assignments>> C :: 179.220 CA :: 59.543 CB :: 29.993 CG :: 27.677 CD :: 43.587 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 :: 7.406 HA :: 4.085 HB2 :: 1.927 HB3 :: 1.927 HG2 :: 1.844 HG3 :: 1.626 HD2 :: 3.270 HD3 :: 3.270 HE :: 7.294 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.262 NE :: 84.897 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.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.26 Q 0.25 R 0.13 E 0.06 I 0.01 C Shift Assignments>> C :: 177.120 CA :: 57.673 CB :: 28.181 CG :: 33.285 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 :: 6.895 HA :: 3.972 HB2 :: 1.881 HB3 :: 1.836 HG2 :: 2.252 HG3 :: 2.178 HE21 :: 7.094 HE22 :: 6.731 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 :: 116.895 NE2 :: 112.194 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 178.200 CA :: 61.112 CB :: 38.795 CD1 :: 133.110 CD2 :: 133.110 CE1 :: 118.309 CE2 :: 118.309 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 :: 8.315 HA :: 3.646 HB2 :: 2.564 HB3 :: 2.010 HD1 :: 6.214 HD2 :: 6.214 HE1 :: 6.692 HE2 :: 6.692 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 :: 123.126 Ave N Shift Values>> N :: 120.79(4.69) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 177.678 CA :: 60.666 CB :: 38.440 CD1 :: 132.557 CD2 :: 132.557 CE1 :: 130.795 CE2 :: 130.795 CZ :: 129.868 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 :: 8.395 HA :: 4.403 HB2 :: 3.445 HB3 :: 3.017 HD1 :: 7.619 HD2 :: 7.619 HE1 :: 7.658 HE2 :: 7.658 HZ :: 7.548 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 :: 115.420 Ave N Shift Values>> N :: 120.69(4.18) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.19 G 0.01 C Shift Assignments>> C :: 177.690 CA :: 58.705 CB :: 32.332 CG :: 24.875 CD :: 29.325 CE :: 42.180 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 :: 7.496 HA :: 4.150 HB2 :: 1.922 HB3 :: 1.861 HG2 :: 1.534 HG3 :: 1.441 HD2 :: 1.685 HD3 :: 1.685 HE2 :: 2.988 HE3 :: 2.988 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 :: 120.457 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 C 0.18 D 0.17 Y 0.12 F 0.1 L 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 175.772 CA :: 54.209 CB :: 38.703 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 :: 7.955 HA :: 4.596 HB2 :: 2.786 HB3 :: 2.700 HD21 :: 7.480 HD22 :: 6.880 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 :: 116.457 ND2 :: 112.695 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.21 G 0.01 C Shift Assignments>> C :: 177.059 CA :: 57.011 CB :: 32.817 CG :: 24.708 CD :: 28.947 CE :: 42.262 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 :: 7.756 HA :: 4.205 HB2 :: 1.845 HB3 :: 1.745 HG2 :: 1.350 HG3 :: 1.318 HD2 :: 1.598 HD3 :: 1.553 HE2 :: 2.979 HE3 :: 2.849 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 :: 120.401 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 63.020 CB :: 32.557 CG1 :: 21.301 CG2 :: 21.039 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 :: 7.821 HA :: 4.066 HB :: 2.137 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 HG21 :: 0.996 HG22 :: 0.996 HG23 :: 0.996 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 :: 119.675 Ave N Shift Values>> N :: 121.02(4.96) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 176.695 CA :: 56.681 CB :: 32.736 CG :: 24.875 CD :: 29.160 CE :: 42.262 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 :: 8.244 HA :: 4.329 HB2 :: 1.890 HB3 :: 1.829 HG2 :: 1.483 HG3 :: 1.483 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 2.988 HE3 :: 2.988 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 :: 123.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 K 0.14 W 0.14 R 0.14 I 0.13 Q 0.12 E 0.11 L 0.03 C Shift Assignments>> C :: 175.019 CA :: 58.843 CB :: 28.256 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.327 HA :: 4.543 HB2 :: 2.969 HB3 :: 2.969 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 :: 119.505 Ave N Shift Values>> N :: 119.95(4.79) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 HN Overlap>> 1.G4 1.G4 C Shift Assignments>> C :: 174.218 CA :: 45.598 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.434 HA2 :: 4.006 HA3 :: 4.006 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.841 Ave N Shift Values>> N :: 109.91(4.29) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.09 G 0.02 A 0.01 C Shift Assignments>> C :: 177.241 CA :: 55.397 CB :: 42.453 CG :: 27.100 CD1 :: 25.068 CD2 :: 23.474 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 :: 8.126 HA :: 4.365 HB2 :: 1.641 HB3 :: 1.641 HG :: 1.643 HD11 :: 0.931 HD12 :: 0.931 HD13 :: 0.931 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 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 :: 121.403 Ave N Shift Values>> N :: 121.98(4.07) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.17 N 0.12 C 0.11 K 0.09 F 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.076 CA :: 54.341 CB :: 40.830 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 :: 8.372 HA :: 4.597 HB2 :: 2.750 HB3 :: 2.664 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 :: 120.334 Ave N Shift Values>> N :: 120.73(4.2) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 176.496 CA :: 56.297 CB :: 33.043 CG :: 24.628 CD :: 29.078 CE :: 42.180 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 :: 8.165 HA :: 4.325 HB2 :: 1.880 HB3 :: 1.773 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 3.027 HE3 :: 3.027 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 :: 120.957 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 Q 0.15 K 0.14 I 0.02 C Shift Assignments>> C :: 176.379 CA :: 56.318 CB :: 30.063 CG :: 35.423 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 :: 8.372 HA :: 4.377 HB2 :: 2.082 HB3 :: 1.975 HG2 :: 2.343 HG3 :: 2.293 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 :: 121.388 Ave N Shift Values>> N :: 120.68(3.68) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.13 C Shift Assignments>> C :: 173.077 CA :: 59.818 CB :: 69.623 CG2 :: 21.541 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 :: 8.266 HA :: 4.614 HB :: 4.196 HG21 :: 1.266 HG22 :: 1.266 HG23 :: 1.266 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.777 Ave N Shift Values>> N :: 115.7(5.05) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 176.816 CA :: 63.534 CB :: 32.159 CG :: 27.432 CD :: 51.096 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 :: 4.440 HB2 :: 2.323 HB3 :: 1.914 HG2 :: 2.033 HG3 :: 2.033 HD2 :: 3.850 HD3 :: 3.739 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.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.19 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.177 CA :: 53.474 CB :: 38.818 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 :: 8.508 HA :: 4.662 HB2 :: 2.854 HB3 :: 2.793 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.390 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.25 E 0.13 R 0.04 C Shift Assignments>> C :: 175.869 CA :: 55.973 CB :: 29.623 CG :: 33.857 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 :: 8.285 HA :: 4.351 HB2 :: 2.135 HB3 :: 2.006 HG2 :: 2.373 HG3 :: 2.373 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 :: 120.629 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.19 G 0.01 C Shift Assignments>> C :: 176.804 CA :: 56.529 CB :: 32.817 CG :: 24.793 CD :: 29.253 CE :: 42.262 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 :: 8.423 HA :: 4.427 HB2 :: 1.887 HB3 :: 1.825 HG2 :: 1.487 HG3 :: 1.487 HD2 :: 1.747 HD3 :: 1.747 HE2 :: 3.027 HE3 :: 3.027 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 :: 122.886 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.254 CA :: 61.644 CB :: 70.029 CG2 :: 21.439 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 :: 8.223 HA :: 4.401 HB :: 4.293 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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 :: 115.293 Ave N Shift Values>> N :: 115.7(5.05) 1.G72 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 :: 178.928 CA :: 46.203 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.039 HA2 :: 3.806 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.195 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 67 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 71 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 70 #Suspicious: 2 C Shift Results: #Consistent: 329 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 514 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 80 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K26 HB3 = 0.850(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.4766e-04 1.R29 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.K33 HB3 = 0.404(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.2078e-07 1.R41 HG2 = 0.626(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.1035e-04 1.R41 HG3 = -0.145(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.6710e-10 1.R41 HD3 = 2.018(S), Expected = 3.13, Std = 0.2200, ChiSquare = 4.3142e-07 1.K47 SRO Rule Break>> HA > HE2 : 0.99351606248158