Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.865 CA :: 45.471 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.983 HA3 :: 3.983 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.22 C 0.14 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 174.753 CA :: 52.979 CB :: 39.129 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 :: 8.280 HA :: 4.772 HB2 :: 2.809 HB3 :: 2.728 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 :: 118.749 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.4 A 0.13 C Shift Assignments>> C :: 175.897 CA :: 55.784 CB :: 33.966 CG :: 31.860 CE :: 17.281 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 :: 8.273 HA :: 4.598 HB2 :: 2.056 HB3 :: 1.997 HG2 :: 2.558 HG3 :: 2.475 HE1 :: 2.010 HE2 :: 2.010 HE3 :: 2.010 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 :: 121.477 Ave N Shift Values>> N :: 120.1(3.88) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.388 CA :: 60.664 CB :: 71.764 CG2 :: 21.650 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 :: 8.873 HA :: 4.566 HB :: 4.515 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 115.495 Ave N Shift Values>> N :: 115.7(5.05) 1.I11 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 :: 177.244 CA :: 64.703 CB :: 37.865 CG1 :: 28.956 CG2 :: 17.051 CD1 :: 13.515 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 :: 8.485 HA :: 3.767 HB :: 1.822 HG12 :: 1.588 HG13 :: 1.123 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 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 :: 120.246 Ave N Shift Values>> N :: 121.6(4.72) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.251 CA :: 60.823 CB :: 62.901 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.972 HA :: 4.173 HB2 :: 3.806 HB3 :: 3.760 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 :: 115.236 Ave N Shift Values>> N :: 116.3(3.95) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.16 L 0.16 Y 0.13 C 0.13 D 0.11 R 0.05 I 0.02 N 0.01 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 177.894 CA :: 56.875 CB :: 41.188 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 :: 7.770 HA :: 4.358 HB2 :: 2.940 HB3 :: 2.647 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 :: 120.961 Ave N Shift Values>> N :: 120.73(4.2) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 1.N58 1.N58 C Shift Assignments>> C :: 176.464 CA :: 64.633 CB :: 38.453 CG1 :: 29.210 CG2 :: 17.421 CD1 :: 14.190 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 :: 7.467 HA :: 3.662 HB :: 1.889 HG12 :: 1.587 HG13 :: 1.139 HG21 :: 0.918 HG22 :: 0.918 HG23 :: 0.918 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 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 :: 118.873 Ave N Shift Values>> N :: 121.6(4.72) 1.Q15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.27 Q 0.25 K 0.24 E 0.12 R 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 177.135 CA :: 56.906 CB :: 28.141 CG :: 34.130 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 :: 7.781 HA :: 2.216(A) HB2 :: 1.630 HB3 :: 1.332 HG2 :: 2.116 HG3 :: 1.829 HE21 :: 6.796 HE22 :: 6.796 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 :: 114.547 NE2 :: 110.582 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.37 W 0.36 C 0.25 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 174.200 CA :: 55.588 CB :: 29.434 CD2 :: 120.352 CE1 :: 137.015 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.533 HA :: 4.596 HB2 :: 3.418 HB3 :: 2.954 HD2 :: 7.105 HE1 :: 8.085 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.181 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 50.919 CB :: 18.675 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.462 HA :: 4.667 HB1 :: 1.728 HB2 :: 1.728 HB3 :: 1.728 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.854 Ave N Shift Values>> N :: 123.23(3.7) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 176.824 CA :: 64.440 CB :: 32.199 CG :: 27.917 CD :: 50.654 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 :: 4.409 HB2 :: 2.423 HB3 :: 1.795 HG2 :: 2.169 HG3 :: 2.135 HD2 :: 4.010 HD3 :: 3.735 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.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.21 D 0.07 I 0.07 N 0.05 E 0.04 L 0.04 C Shift Assignments>> C :: 176.551 CA :: 57.008 CB :: 38.923 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 :: 8.526 HA :: 4.295 HB2 :: 2.842 HB3 :: 2.842 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 :: 114.697 Ave N Shift Values>> N :: 120.73(4.2) 1.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> C :: 177.598 CA :: 62.824 CB :: 38.976 CD1 :: 134.178 CD2 :: 134.178 CE1 :: 117.694 CE2 :: 117.694 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 :: 7.880 HA :: 3.913 HB2 :: 3.473 HB3 :: 2.951 HD1 :: 6.945 HD2 :: 6.945 HE1 :: 6.599 HE2 :: 6.599 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.150 Ave N Shift Values>> N :: 120.79(4.69) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.65 M 0.3 C 0.02 C Shift Assignments>> C :: 178.180 CA :: 53.402 CB :: 18.655 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.463 HA :: 4.057 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.29 R 0.07 A 0.04 C Shift Assignments>> C :: 177.335 CA :: 55.182 CB :: 41.600 CG :: 27.368 CD1 :: 25.246 CD2 :: 22.662 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 :: 7.533 HA :: 4.248 HB2 :: 1.890 HB3 :: 1.656 HG :: 1.607 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.370 Ave N Shift Values>> N :: 121.98(4.07) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.22 R 0.15 G 0.06 A 0.03 C Shift Assignments>> C :: 177.059 CA :: 53.861 CB :: 43.001 CG :: 27.182 CD1 :: 26.775 CD2 :: 23.308 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 :: 7.209 HA :: 4.438 HB2 :: 1.853 HB3 :: 1.576 HG :: 1.975 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.962 Ave N Shift Values>> N :: 121.98(4.07) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.150 CA :: 57.438 CB :: 65.313 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.419 HA :: 4.524 HB2 :: 4.476 HB3 :: 4.159 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 :: 117.850 Ave N Shift Values>> N :: 116.3(3.95) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 C 0.23 F 0.2 I 0.08 E 0.08 D 0.04 N 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 177.770 CA :: 57.249 CB :: 38.387 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.167 HA :: 4.315 HB2 :: 2.839 HB3 :: 2.839 HD21 :: 7.650 HD22 :: 6.972 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 :: 120.736 ND2 :: 112.914 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.23 C 0.17 L 0.09 D 0.09 I 0.06 K 0.06 N 0.02 C Shift Assignments>> C :: 179.422 CA :: 57.494 CB :: 40.158 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 :: 8.457 HA :: 4.420 HB2 :: 2.733 HB3 :: 2.555 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 :: 117.363 Ave N Shift Values>> N :: 120.73(4.2) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.19 E 0.19 M 0.03 HN Overlap>> 1.Y20 1.Y20 C Shift Assignments>> C :: 178.016 CA :: 59.066 CB :: 31.657 CG :: 38.428 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 :: 7.947 HA :: 3.523 HB2 :: 2.500 HB3 :: 1.748 HG2 :: 2.788 HG3 :: 2.488 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 :: 121.102 Ave N Shift Values>> N :: 120.68(3.68) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.15 K 0.13 I 0.11 E 0.09 R 0.05 P 0.03 C Shift Assignments>> C :: 178.055 CA :: 59.836 CB :: 27.083 CG :: 34.445 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 :: 8.657 HA :: 3.539 HB2 :: 2.404 HB3 :: 2.000 HG2 :: 2.411 HG3 :: 1.378 HE21 :: 6.444 HE22 :: 6.335 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 :: 120.600 NE2 :: 110.111 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.1 R 0.08 I 0.02 M 0.02 HN Overlap>> 1.H16 1.H16 C Shift Assignments>> C :: 178.149 CA :: 58.179 CB :: 28.163 CG :: 33.843 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 :: 7.491 HA :: 3.921 HB2 :: 2.140 HB3 :: 2.065 HG2 :: 2.502 HG3 :: 2.502 HE21 :: 7.603 HE22 :: 6.836 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 :: 114.244 NE2 :: 113.692 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 R 0.01 C Shift Assignments>> C :: 178.424 CA :: 58.209 CB :: 41.173 CG :: 25.855 CD1 :: 23.186 CD2 :: 25.320 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 :: 7.490 HA :: 3.854 HB2 :: 1.412 HB3 :: 0.783 HG :: 1.029 HD11 :: 0.533 HD12 :: 0.533 HD13 :: 0.533 HD21 :: -0.008 HD22 :: -0.008 HD23 :: -0.008 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 :: 122.105 Ave N Shift Values>> N :: 121.98(4.07) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 P 0.34 C 0.05 V 0.04 C Shift Assignments>> C :: 177.645 CA :: 66.185 CB :: 25.865 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.996 HA :: 3.773 HB2 :: 3.406 HB3 :: 2.772 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 116.972 Ave N Shift Values>> N :: 119.95(4.79) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.436 CA :: 65.370 CB :: 38.368 CG1 :: 29.814 CG2 :: 17.294 CD1 :: 13.688 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 :: 7.800 HA :: 3.665 HB :: 1.912 HG12 :: 1.908 HG13 :: 1.017 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 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 :: 117.861 Ave N Shift Values>> N :: 121.6(4.72) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 178.843 CA :: 58.919 CB :: 28.494 CG :: 33.943 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 :: 8.186 HA :: 3.982 HB2 :: 2.178 HB3 :: 2.101 HG2 :: 2.552 HG3 :: 2.360 HE21 :: 7.392 HE22 :: 6.806 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 :: 119.944 NE2 :: 110.755 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.24 R 0.1 G 0.06 A 0.04 C Shift Assignments>> C :: 175.547 CA :: 54.971 CB :: 43.001 CG :: 26.604 CD1 :: 26.150 CD2 :: 22.839 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 :: 8.518 HA :: 4.179 HB2 :: 1.711 HB3 :: 1.397 HG :: 1.852 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 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 :: 115.803 Ave N Shift Values>> N :: 121.98(4.07) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.35 K 0.2 L 0.03 G 0.02 C Shift Assignments>> C :: 174.834 CA :: 56.885 CB :: 29.011 CG :: 24.711 CD :: 29.071 CE :: 42.613 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 :: 7.933 HA :: 3.690 HB2 :: 2.180 HB3 :: 1.773 HG2 :: 1.432 HG3 :: 1.324 HD2 :: 1.773 HD3 :: 1.588 HE2 :: 3.025 HE3 :: 3.025 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 :: 117.389 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.4 G 0.01 C Shift Assignments>> C :: 173.181 CA :: 59.667 CB :: 42.043 CG1 :: 26.759 CG2 :: 17.217 CD1 :: 14.171 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.974 HA :: 4.425 HB :: 1.545 HG12 :: 1.609 HG13 :: 1.071 HG21 :: 1.033 HG22 :: 1.033 HG23 :: 1.033 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 118.546 Ave N Shift Values>> N :: 121.6(4.72) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 A 0.02 R 0.01 HN Overlap>> 1.E51 1.E51 C Shift Assignments>> C :: 174.831 CA :: 54.079 CB :: 39.974 CG :: 28.200 CD1 :: 25.548 CD2 :: 23.713 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 :: 8.063 HA :: 4.485 HB2 :: 1.901 HB3 :: 1.565 HG :: 1.742 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.011 Ave N Shift Values>> N :: 121.98(4.07) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> CA :: 66.753 CB :: 32.448 CG :: 28.590 CD :: 50.227 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 :: 4.410 HB2 :: 2.297 HB3 :: 2.156 HG2 :: 2.206 HG3 :: 1.989 HD2 :: 4.090 HD3 :: 3.810 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.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.22 K 0.16 G 0.02 C Shift Assignments>> CA :: 62.114 CB :: 29.365 CG :: 25.896 CD :: 29.408 CE :: 41.726 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 :: 9.414 HA :: 4.304 HB2 :: 2.024 HB3 :: 1.953 HG2 :: 1.609 HG3 :: 1.495 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 2.985 HE3 :: 2.879 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.216 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.13 G 0.01 C Shift Assignments>> C :: 180.032 CA :: 65.961 CB :: 30.797 CG :: 28.212 CD :: 49.251 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 :: 4.265 HB2 :: 2.324 HB3 :: 1.885 HG2 :: 2.341 HG3 :: 1.998 HD2 :: 3.687 HD3 :: 3.578 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.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 175.622 CA :: 62.026 CB :: 37.934 CD1 :: 132.933 CD2 :: 132.933 CE1 :: 116.947 CE2 :: 116.947 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 :: 8.106 HA :: 4.089 HB2 :: 3.182 HB3 :: 3.036 HD1 :: 6.745 HD2 :: 6.745 HE1 :: 6.622 HE2 :: 6.622 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 :: 119.334 Ave N Shift Values>> N :: 120.79(4.69) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.4 R 0.08 C Shift Assignments>> C :: 180.816 CA :: 58.090 CB :: 41.251 CG :: 27.425 CD1 :: 25.947 CD2 :: 22.921 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 :: 8.689 HA :: 3.580 HB2 :: 2.135 HB3 :: 1.372 HG :: 1.999 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 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 :: 121.589 Ave N Shift Values>> N :: 121.98(4.07) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 178.197 CA :: 66.763 CB :: 31.837 CG1 :: 21.187 CG2 :: 22.718 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 :: 7.878 HA :: 3.710 HB :: 2.211 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 120.942 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>> C 0.5 L 0.45 R 0.03 C Shift Assignments>> C :: 178.416 CA :: 57.966 CB :: 40.979 CG :: 26.205 CD1 :: 23.315 CD2 :: 26.339 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 :: 7.602 HA :: 3.892 HB2 :: 2.135 HB3 :: 1.258 HG :: 2.079 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 120.855 Ave N Shift Values>> N :: 121.98(4.07) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.27 K 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 177.700 CA :: 59.996 CB :: 33.814 CG :: 25.437 CD :: 30.957 CE :: 42.218 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 :: 8.799 HA :: 3.794 HB2 :: 1.803 HB3 :: 1.408 HG2 :: 1.392 HG3 :: 1.337 HD2 :: 1.842 HD3 :: 1.618 HE2 :: 2.582 HE3 :: 2.412 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 :: 120.184 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.354 CA :: 59.553 CB :: 29.264 CG :: 36.190 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 :: 7.646 HA :: 4.211 HB2 :: 2.200 HB3 :: 2.200 HG2 :: 2.404 HG3 :: 2.287 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.260 Ave N Shift Values>> N :: 120.68(3.68) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 179.246 CA :: 67.080 CB :: 31.558 CG1 :: 21.511 CG2 :: 22.960 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 :: 8.217 HA :: 3.550 HB :: 2.271 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 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 :: 121.609 Ave N Shift Values>> N :: 121.02(4.96) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.48 A 0.01 C Shift Assignments>> C :: 178.393 CA :: 58.004 CB :: 33.057 CG :: 32.672 CE :: 16.252 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 :: 8.245 HA :: 3.881 HB2 :: 2.145 HB3 :: 1.225 HG2 :: 2.108 HG3 :: 1.838 HE1 :: 1.159 HE2 :: 1.159 HE3 :: 1.159 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 :: 119.171 Ave N Shift Values>> N :: 120.1(3.88) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 179.248 CA :: 63.255 CB :: 38.305 CD1 :: 131.256 CD2 :: 131.256 CE1 :: 131.258 CE2 :: 131.258 CZ :: 129.226 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 :: 8.577 HA :: 4.346 HB2 :: 3.146 HB3 :: 3.081 HD1 :: 7.395 HD2 :: 7.395 HE1 :: 6.770 HE2 :: 6.770 HZ :: 5.957 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 :: 117.363 Ave N Shift Values>> N :: 120.69(4.18) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.15 K 0.04 C Shift Assignments>> C :: 179.332 CA :: 59.861 CB :: 30.170 CG :: 27.699 CD :: 43.755 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 :: 8.625 HA :: 4.126 HB2 :: 2.055 HB3 :: 2.055 HG2 :: 1.898 HG3 :: 1.654 HD2 :: 3.266 HD3 :: 3.266 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 :: 120.215 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.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 K 0.16 Q 0.15 I 0.06 M 0.04 R 0.01 HN Overlap>> 1.L37 1.L37 C Shift Assignments>> C :: 179.879 CA :: 58.514 CB :: 29.422 CG :: 35.122 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 :: 8.094 HA :: 4.326 HB2 :: 2.053 HB3 :: 1.919 HG2 :: 2.375 HG3 :: 2.326 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 :: 121.986 Ave N Shift Values>> N :: 120.68(3.68) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.36 R 0.08 C Shift Assignments>> C :: 179.808 CA :: 58.171 CB :: 41.604 CG :: 27.262 CD1 :: 25.616 CD2 :: 24.334 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 :: 8.804 HA :: 3.919 HB2 :: 2.048 HB3 :: 1.567 HG :: 1.705 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 121.264 Ave N Shift Values>> N :: 121.98(4.07) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.36 R 0.04 C Shift Assignments>> C :: 180.220 CA :: 57.930 CB :: 41.824 CG :: 27.107 CD1 :: 24.300 CD2 :: 24.300 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 :: 7.949 HA :: 4.214 HB2 :: 1.885 HB3 :: 1.781 HG :: 1.770 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.989 Ave N Shift Values>> N :: 121.98(4.07) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.13 M 0.02 C Shift Assignments>> C :: 178.718 CA :: 59.427 CB :: 33.153 CG :: 24.733 CD :: 29.509 CE :: 41.939 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 :: 7.799 HA :: 4.110 HB2 :: 2.036 HB3 :: 2.036 HG2 :: 1.632 HG3 :: 1.435 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 2.947 HE3 :: 2.947 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 :: 120.208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 176.795 CA :: 61.739 CB :: 70.815 CG2 :: 21.860 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 :: 8.118 HA :: 4.461 HB :: 4.629 HG21 :: 1.339 HG22 :: 1.339 HG23 :: 1.339 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 :: 106.295 Ave N Shift Values>> N :: 115.7(5.05) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 175.535 CA :: 46.810 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.831 HA2 :: 4.067 HA3 :: 4.002 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.090 Ave N Shift Values>> N :: 109.91(4.29) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.393 CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.859 HA2 :: 4.310 HA3 :: 3.564 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.023 Ave N Shift Values>> N :: 109.91(4.29) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.24 C 0.13 Y 0.05 F 0.05 L 0.05 HN Overlap>> 1.I14 1.I14 C Shift Assignments>> C :: 173.314 CA :: 52.450 CB :: 39.425 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 :: 7.435 HA :: 4.863 HB2 :: 2.837 HB3 :: 2.697 HD21 :: 7.581 HD22 :: 6.919 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 :: 118.854 ND2 :: 113.503 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.26 C 0.21 R 0.03 C Shift Assignments>> C :: 174.693 CA :: 54.444 CB :: 45.165 CG :: 26.980 CD1 :: 25.075 CD2 :: 26.485 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 :: 8.134 HA :: 4.596 HB2 :: 1.798 HB3 :: 1.262 HG :: 1.701 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.402 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 0.98 T 0.01 C Shift Assignments>> C :: 174.430 CA :: 57.122 CB :: 65.327 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.705 HA :: 4.659 HB2 :: 4.315 HB3 :: 4.022 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.392 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>> C 0.39 K 0.36 R 0.21 G 0.01 M 0.01 C Shift Assignments>> C :: 179.228 CA :: 60.828 CB :: 32.249 CG :: 25.642 CD :: 29.616 CE :: 42.152 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 :: 8.787 HA :: 2.950 HB2 :: 1.477 HB3 :: 1.105 HG2 :: 0.755 HG3 :: 0.621 HD2 :: 1.466 HD3 :: 1.403 HE2 :: 2.841 HE3 :: 2.776 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 :: 123.693 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.784 CA :: 61.193 CB :: 62.156 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.291 HA :: 3.927 HB2 :: 3.847 HB3 :: 3.780 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 :: 113.595 Ave N Shift Values>> N :: 116.3(3.95) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 C 0.03 I 0.02 C Shift Assignments>> C :: 180.733 CA :: 54.796 CB :: 18.576 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.916 HA :: 4.140 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.776 Ave N Shift Values>> N :: 123.23(3.7) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.44 I 0.41 C 0.07 R 0.02 W 0.01 C Shift Assignments>> C :: 175.341 CA :: 62.920 CB :: 26.564 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.333 HA :: 3.903 HB2 :: 3.119 HB3 :: 2.858 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 :: 119.920 Ave N Shift Values>> N :: 119.95(4.79) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 G 0.36 R 0.21 K 0.01 C Shift Assignments>> C :: 179.419 CA :: 60.276 CB :: 30.766 CG :: 28.985 CD :: 44.525 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 :: 7.739 HA :: 3.880 HB2 :: 2.125 HB3 :: 1.838 HG2 :: 1.906 HG3 :: 1.464 HD2 :: 3.479 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 :: 117.738 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.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 K 0.08 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.349 CA :: 58.355 CB :: 29.818 CG :: 36.286 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 :: 7.457 HA :: 4.053 HB2 :: 2.043 HB3 :: 2.016 HG2 :: 2.368 HG3 :: 2.255 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 :: 117.032 Ave N Shift Values>> N :: 120.68(3.68) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.27 G 0.17 R 0.08 C Shift Assignments>> C :: 178.071 CA :: 56.928 CB :: 43.948 CG :: 26.616 CD1 :: 25.918 CD2 :: 23.226 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 :: 7.846 HA :: 4.085 HB2 :: 1.896 HB3 :: 1.599 HG :: 1.396 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.801 HD22 :: 0.801 HD23 :: 0.801 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.830 Ave N Shift Values>> N :: 121.98(4.07) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.3 A 0.1 R 0.06 G 0.01 C Shift Assignments>> C :: 176.943 CA :: 55.764 CB :: 42.196 CG :: 26.108 CD1 :: 26.068 CD2 :: 21.691 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 :: 7.984 HA :: 4.106 HB2 :: 1.881 HB3 :: 1.290 HG :: 2.105 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.743 HD22 :: 0.743 HD23 :: 0.743 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 :: 113.879 Ave N Shift Values>> N :: 121.98(4.07) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.25 Y 0.09 E 0.08 D 0.06 F 0.05 M 0.04 K 0.01 C Shift Assignments>> CA :: 53.690 CB :: 37.341 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 :: 7.995 HA :: 4.536 HB2 :: 3.100 HB3 :: 2.513 HD21 :: 7.503 HD22 :: 6.735 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 111.458 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.44 G 0.03 A 0.01 C Shift Assignments>> CA :: 59.190 CB :: 42.191 CG1 :: 25.137 CG2 :: 17.261 CD1 :: 14.659 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 :: 7.784 HA :: 4.684 HB :: 2.019 HG12 :: 1.523 HG13 :: 0.896 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 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 :: 112.274 Ave N Shift Values>> N :: 121.6(4.72) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 R 0.11 C 0.11 K 0.1 N 0.05 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> CA :: 52.917 CB :: 42.423 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.228 HA :: 4.684 HB2 :: 2.815 HB3 :: 2.509 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.608 Ave N Shift Values>> N :: 120.73(4.2) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.739 CA :: 65.536 CB :: 32.544 CG :: 27.553 CD :: 51.116 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 :: 4.172 HB2 :: 2.296 HB3 :: 2.005 HG2 :: 2.108 HG3 :: 2.108 HD2 :: 3.983 HD3 :: 3.839 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.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 179.705 CA :: 64.247 CB :: 36.927 CG1 :: 28.960 CG2 :: 17.419 CD1 :: 12.141 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 :: 8.057 HA :: 3.822 HB :: 2.007 HG12 :: 1.587 HG13 :: 1.336 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 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 :: 116.869 Ave N Shift Values>> N :: 121.6(4.72) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.39 K 0.17 G 0.02 C Shift Assignments>> C :: 178.145 CA :: 59.871 CB :: 32.949 CG :: 26.919 CD :: 30.024 CE :: 42.603 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 :: 7.546 HA :: 4.015 HB2 :: 2.114 HB3 :: 1.660 HG2 :: 1.680 HG3 :: 1.415 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.126 HE3 :: 3.076 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 :: 119.489 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.26 I 0.05 C 0.04 V 0.02 C Shift Assignments>> C :: 178.722 CA :: 55.958 CB :: 18.896 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.274 HA :: 3.804 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.254 Ave N Shift Values>> N :: 123.23(3.7) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.17 N 0.16 E 0.14 F 0.1 D 0.05 M 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.395 CA :: 55.500 CB :: 37.523 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 :: 8.382 HA :: 4.306 HB2 :: 3.011 HB3 :: 2.942 HD21 :: 7.364 HD22 :: 6.712 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.957 ND2 :: 107.952 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 L 0.03 G 0.02 C Shift Assignments>> C :: 179.729 CA :: 58.200 CB :: 29.613 CG :: 27.353 CD :: 42.494 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 :: 7.571 HA :: 4.352 HB2 :: 2.105 HB3 :: 2.017 HG2 :: 1.845 HG3 :: 1.731 HD2 :: 3.399 HD3 :: 3.207 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 :: 118.412 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.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 177.221 CA :: 66.213 CB :: 37.504 CG1 :: 30.545 CG2 :: 17.419 CD1 :: 13.379 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 :: 8.403 HA :: 3.832 HB :: 1.997 HG12 :: 1.879 HG13 :: 1.014 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.793 HD12 :: 0.793 HD13 :: 0.793 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 :: 123.167 Ave N Shift Values>> N :: 121.6(4.72) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 177.489 CA :: 63.272 CB :: 37.951 CD1 :: 133.200 CD2 :: 133.200 CE1 :: 117.916 CE2 :: 117.916 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 :: 8.648 HA :: 3.728 HB2 :: 3.385 HB3 :: 3.385 HD1 :: 7.113 HD2 :: 7.113 HE1 :: 6.659 HE2 :: 6.659 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 :: 122.877 Ave N Shift Values>> N :: 120.79(4.69) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 D 0.09 L 0.09 K 0.06 I 0.06 N 0.02 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> C :: 179.232 CA :: 57.368 CB :: 40.158 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 :: 8.423 HA :: 4.471 HB2 :: 2.920 HB3 :: 2.836 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.436 Ave N Shift Values>> N :: 120.73(4.2) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 177.631 CA :: 61.299 CB :: 39.648 CD1 :: 131.961 CD2 :: 131.961 CE1 :: 131.961 CE2 :: 131.961 CZ :: 127.874 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 :: 8.701 HA :: 4.306 HB2 :: 3.539 HB3 :: 3.254 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 7.209 HE2 :: 7.209 HZ :: 6.580 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 :: 123.509 Ave N Shift Values>> N :: 120.69(4.18) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 178.940 CA :: 61.815 CB :: 39.585 CD1 :: 131.246 CD2 :: 131.246 CE1 :: 131.390 CE2 :: 131.390 CZ :: 131.122 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 :: 9.031 HA :: 3.743 HB2 :: 3.606 HB3 :: 2.603 HD1 :: 7.344 HD2 :: 7.344 HE1 :: 6.760 HE2 :: 6.760 HZ :: 7.235 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.190 Ave N Shift Values>> N :: 120.69(4.18) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.19 E 0.18 Q 0.18 I 0.08 R 0.03 M 0.01 C Shift Assignments>> C :: 180.153 CA :: 59.482 CB :: 28.501 CG :: 34.617 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 :: 7.900 HA :: 4.140 HB2 :: 2.196 HB3 :: 2.126 HG2 :: 2.404 HG3 :: 2.127 HE21 :: 7.315 HE22 :: 6.951 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 :: 116.460 NE2 :: 112.648 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 175.616 CA :: 61.387 CB :: 62.720 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.462 HA :: 4.117 HB2 :: 3.876 HB3 :: 3.876 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.343 Ave N Shift Values>> N :: 116.3(3.95) 1.Q85 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.32 R 0.23 K 0.2 Q 0.19 M 0.02 E 0.01 C Shift Assignments>> C :: 174.660 CA :: 54.477 CB :: 26.976 CG :: 32.716 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 :: 7.162 HA :: 3.486 HB2 :: 0.397(S) HB3 :: -0.117(S) HG2 :: 0.580(S) HG3 :: -0.249(A) HE21 :: 7.011 HE22 :: 5.986 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 :: 118.261 NE2 :: 115.902 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 N 0.2 E 0.17 Y 0.11 M 0.07 F 0.05 D 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 175.515 CA :: 54.675 CB :: 36.826 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 :: 7.811 HA :: 4.474 HB2 :: 3.118 HB3 :: 2.882 HD21 :: 7.461 HD22 :: 6.764 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 :: 112.557 ND2 :: 112.401 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.44 C Shift Assignments>> C :: 175.124 CA :: 55.324 CB :: 30.699 CD1 :: 124.276 CE3 :: 120.468 CZ2 :: 114.124 CZ3 :: 121.714 CH2 :: 124.311 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 :: 8.014 HA :: 4.901 HB2 :: 3.223 HB3 :: 2.843 HD1 :: 6.831 HE1 :: 9.872 HE3 :: 5.329 HZ2 :: 7.435 HZ3 :: 6.815 HH2 :: 7.398 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 :: 117.940 NE1 :: 127.222 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.43 A 0.08 I 0.01 C Shift Assignments>> C :: 179.152 CA :: 56.740 CB :: 34.937 CG :: 32.179 CE :: 17.578 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 :: 7.658 HA :: 4.295 HB2 :: 2.067 HB3 :: 2.014 HG2 :: 2.269 HG3 :: 2.269 HE1 :: 1.539 HE2 :: 1.539 HE3 :: 1.539 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 :: 120.650 Ave N Shift Values>> N :: 120.1(3.88) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 0 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 382 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 622 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 2 N Shift Results: #Consistent: 87 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q15 HA = 2.216(A), Expected = 4.28, Std = 0.4400, ChiSquare = 2.7199e-06 1.Q85 HB2 = 0.397(S), Expected = 2.05, Std = 0.2800, ChiSquare = 3.5572e-09 1.Q85 HB3 = -0.117(S), Expected = 2.04, Std = 0.2900, ChiSquare = 1.0227e-13 1.Q85 HG2 = 0.580(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.9732e-09 1.Q85 HG3 = -0.249(A), Expected = 2.32, Std = 0.2900, ChiSquare = 8.1011e-19