Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.919 CA :: 58.632 CB :: 63.826 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.447 HB2 :: 3.875 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 R 0.05 C Shift Assignments>> C :: 173.610 CA :: 45.128 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.381 HA2 :: 3.956 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.672 Ave N Shift Values>> N :: 109.91(4.29) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 174.322 CA :: 53.436 CB :: 31.892 CG :: 24.449 CD :: 28.360 CE :: 42.065 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 :: 7.989 HA :: 4.430 HB2 :: 1.503 HB3 :: 1.443 HG2 :: 1.178 HG3 :: 1.178 HD2 :: 1.438 HD3 :: 1.366 HE2 :: 2.744 HE3 :: 2.713 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 :: 121.270 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.331 CA :: 62.970 CB :: 31.894 CG :: 27.461 CD :: 50.294 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 :: 4.131 HB2 :: 1.910 HB3 :: 0.960 HG2 :: 1.778 HG3 :: 1.537 HD2 :: 3.604 HD3 :: 3.283 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.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 K 0.15 I 0.15 Q 0.08 M 0.07 C Shift Assignments>> C :: 175.849 CA :: 58.051 CB :: 29.627 CG :: 36.120 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 :: 8.649 HA :: 3.960 HB2 :: 1.915 HB3 :: 1.867 HG2 :: 2.205 HG3 :: 2.163 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.707 Ave N Shift Values>> N :: 120.68(3.68) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 176.362 CA :: 55.758 CB :: 29.285 CD1 :: 127.151 CE3 :: 121.087 CZ2 :: 114.475 CZ3 :: 122.092 CH2 :: 124.876 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 :: 7.131 HA :: 4.548 HB2 :: 3.313 HB3 :: 3.146 HD1 :: 7.183 HE1 :: 10.180 HE3 :: 7.371 HZ2 :: 7.372 HZ3 :: 6.827 HH2 :: 7.105 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 :: 115.904 NE1 :: 130.020 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.89 A 0.1 C Shift Assignments>> C :: 174.357 CA :: 55.900 CB :: 31.808 CG :: 32.253 CE :: 15.898 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 :: 7.289 HA :: 4.054 HB2 :: 1.454 HB3 :: 1.359 HG2 :: 1.455 HG3 :: 1.153 HE1 :: 1.141 HE2 :: 1.141 HE3 :: 1.141 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.155 Ave N Shift Values>> N :: 120.1(3.88) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.49 C Shift Assignments>> C :: 175.898 CA :: 53.784 CB :: 35.100 CG :: 32.306 CE :: 17.567 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 :: 8.569 HA :: 4.890 HB2 :: 1.960 HB3 :: 1.824 HG2 :: 2.571 HG3 :: 2.478 HE1 :: 2.099 HE2 :: 2.099 HE3 :: 2.099 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 :: 121.084 Ave N Shift Values>> N :: 120.1(3.88) 1.I14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.810 CA :: 63.803 CB :: 38.974 CG1 :: 27.608 CG2 :: 16.446 CD1 :: 14.086 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.144 HA :: 2.912 HB :: 0.650(S) HG12 :: 1.395 HG13 :: 0.135 HG21 :: -0.436(S) HG22 :: -0.436(S) HG23 :: -0.436(S) HD11 :: 0.401 HD12 :: 0.401 HD13 :: 0.401 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 :: 125.919 Ave N Shift Values>> N :: 121.6(4.72) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.22 Y 0.21 C Shift Assignments>> C :: 174.715 CA :: 55.829 CB :: 33.853 CD2 :: 116.175 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.926 HA :: 4.690 HB2 :: 2.816 HB3 :: 2.418 HD2 :: 6.942 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 125.470 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 K 0.43 G 0.12 C Shift Assignments>> C :: 173.315 CA :: 55.329 CB :: 33.252 CG :: 25.960 CD :: 43.238 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 :: 7.529 HA :: 4.193 HB2 :: 1.729 HB3 :: 1.459 HG2 :: 1.150 HG3 :: 1.034 HD2 :: 2.986 HD3 :: 2.944 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 :: 111.315 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.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.341 CA :: 61.859 CB :: 37.952 CG1 :: 28.597 CG2 :: 17.933 CD1 :: 12.652 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 :: 8.396 HA :: 4.052 HB :: 1.455 HG12 :: 1.319 HG13 :: 0.578 HG21 :: 0.244 HG22 :: 0.244 HG23 :: 0.244 HD11 :: 0.248 HD12 :: 0.248 HD13 :: 0.248 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.157 Ave N Shift Values>> N :: 121.6(4.72) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.13 A 0.09 R 0.06 C Shift Assignments>> C :: 176.622 CA :: 55.422 CB :: 43.410 CG :: 26.372 CD1 :: 25.047 CD2 :: 22.130 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.102 HA :: 4.253 HB2 :: 1.421 HB3 :: 1.211 HG :: 1.332 HD11 :: 0.530 HD12 :: 0.530 HD13 :: 0.530 HD21 :: 0.676 HD22 :: 0.676 HD23 :: 0.676 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 :: 124.326 Ave N Shift Values>> N :: 121.98(4.07) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.35 L 0.12 F 0.04 Y 0.03 K 0.03 C Shift Assignments>> C :: 172.527 CA :: 51.140 CB :: 40.795 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 :: 7.343 HA :: 5.227 HB2 :: 2.733 HB3 :: 2.302 HD21 :: 7.451 HD22 :: 6.992 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.895 ND2 :: 109.984 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.69 W 0.27 Y 0.03 C Shift Assignments>> C :: 173.013 CA :: 55.932 CB :: 35.190 CD2 :: 116.364 CE1 :: 138.772 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.816 HA :: 5.875 HB2 :: 2.817 HB3 :: 2.643 HD2 :: 6.698 HE1 :: 7.953 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 :: 118.537 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.382 CA :: 57.063 CB :: 65.417 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.203 HA :: 4.399 HB2 :: 3.414 HB3 :: 3.127 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 :: 115.006 Ave N Shift Values>> N :: 116.3(3.95) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.199 CA :: 61.066 CB :: 33.732 CG1 :: 21.387 CG2 :: 20.885 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 :: 8.493 HA :: 4.961 HB :: 1.979 HG11 :: 1.087 HG12 :: 1.087 HG13 :: 1.087 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.080 Ave N Shift Values>> N :: 121.02(4.96) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.22 N 0.14 K 0.11 F 0.05 R 0.04 Y 0.04 C Shift Assignments>> C :: 178.629 CA :: 52.814 CB :: 41.525 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 :: 8.667 HA :: 4.688 HB2 :: 3.354 HB3 :: 2.695 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.673 Ave N Shift Values>> N :: 120.73(4.2) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.36 M 0.03 G 0.01 C Shift Assignments>> C :: 177.637 CA :: 58.419 CB :: 32.057 CG :: 24.956 CD :: 28.931 CE :: 42.113 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 :: 8.242 HA :: 4.077 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 2.944 HE3 :: 2.944 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 :: 116.378 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.04 G 0.01 C Shift Assignments>> C :: 176.600 CA :: 55.411 CB :: 32.516 CG :: 25.248 CD :: 28.927 CE :: 42.037 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 :: 8.128 HA :: 4.379 HB2 :: 1.894 HB3 :: 1.776 HG2 :: 1.395 HG3 :: 1.345 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.941 HE3 :: 2.941 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 :: 118.184 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 R 0.04 C Shift Assignments>> C :: 174.048 CA :: 45.235 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.040 HA2 :: 4.125 HA3 :: 3.428 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.208 Ave N Shift Values>> N :: 109.91(4.29) 1.H27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 HN Overlap>> 1.W44 1.W44 C Shift Assignments>> C :: 174.516 CA :: 55.935 CB :: 29.257 CD2 :: 122.434 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.599 HA :: 4.491 HB2 :: 3.280 HB3 :: 3.280 HD2 :: 6.853 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 :: 123.031 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.798 CA :: 62.070 CB :: 32.965 CG1 :: 22.412 CG2 :: 21.649 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 :: 8.330 HA :: 4.776 HB :: 1.616 HG11 :: 0.974 HG12 :: 0.974 HG13 :: 0.974 HG21 :: 0.562 HG22 :: 0.562 HG23 :: 0.562 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 :: 127.641 Ave N Shift Values>> N :: 121.02(4.96) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 173.998 CA :: 54.841 CB :: 33.921 CD2 :: 120.245 CE1 :: 137.943 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.887 HA :: 5.071 HB2 :: 2.944 HB3 :: 2.848 HD2 :: 6.789 HE1 :: 7.791 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 124.946 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 173.451 CA :: 57.627 CB :: 41.124 CD1 :: 133.274 CD2 :: 133.274 CE1 :: 116.851 CE2 :: 116.851 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 :: 9.630 HA :: 5.092 HB2 :: 2.863 HB3 :: 2.671 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 6.503 HE2 :: 6.503 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 :: 119.246 Ave N Shift Values>> N :: 120.79(4.69) 1.L31 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> A 0.92 L 0.07 C Shift Assignments>> C :: 173.742 CA :: 53.120 CB :: 39.479 CG :: 26.143 CD1 :: 25.433 CD2 :: 19.751 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 :: 7.804 HA :: 3.561 HB2 :: 0.657 HB3 :: -1.658(A) HG :: 0.519 HD11 :: 0.341 HD12 :: 0.341 HD13 :: 0.341 HD21 :: -0.623(S) HD22 :: -0.623(S) HD23 :: -0.623(S) 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 :: 125.982 Ave N Shift Values>> N :: 121.98(4.07) 1.I32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.769 CA :: 61.356 CB :: 39.405 CG1 :: 27.649 CG2 :: 16.400 CD1 :: 12.668 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 :: 8.861 HA :: 3.402 HB :: 1.066 HG12 :: 1.133 HG13 :: 0.497 HG21 :: -1.137(S) HG22 :: -1.137(S) HG23 :: -1.137(S) HD11 :: 0.244 HD12 :: 0.244 HD13 :: 0.244 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 129.827 Ave N Shift Values>> N :: 121.6(4.72) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.44 G 0.03 M 0.02 C Shift Assignments>> C :: 174.920 CA :: 54.849 CB :: 33.162 CG :: 26.125 CD :: 29.140 CE :: 42.656 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 :: 7.951 HA :: 4.111 HB2 :: 1.732 HB3 :: 1.302 HG2 :: 1.194 HG3 :: 1.194 HD2 :: 1.322 HD3 :: 1.273 HE2 :: 2.737 HE3 :: 2.668 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 :: 124.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.91 H 0.08 C Shift Assignments>> C :: 177.144 CA :: 55.582 CB :: 30.832 CD1 :: 128.077 CE3 :: 120.604 CZ2 :: 113.821 CZ3 :: 120.880 CH2 :: 123.495 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 :: 8.145 HA :: 4.690 HB2 :: 3.446 HB3 :: 2.851 HD1 :: 7.208 HE1 :: 10.514 HE3 :: 7.171 HZ2 :: 7.246 HZ3 :: 6.482 HH2 :: 6.666 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 :: 132.766 NE1 :: 130.136 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.12 K 0.11 L 0.01 C Shift Assignments>> C :: 176.307 CA :: 58.738 CB :: 30.254 CG :: 26.951 CD :: 43.349 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.199 HA :: 3.742 HB2 :: 1.706 HB3 :: 1.569 HG2 :: 1.375 HG3 :: 1.306 HD2 :: 3.043 HD3 :: 3.043 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 :: 124.433 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.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.22 Y 0.21 L 0.13 N 0.1 K 0.05 I 0.03 C Shift Assignments>> C :: 174.269 CA :: 55.948 CB :: 39.960 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 :: 8.812 HA :: 4.294 HB2 :: 2.903 HB3 :: 2.806 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 :: 115.622 Ave N Shift Values>> N :: 120.73(4.2) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.44 A 0.05 R 0.02 C Shift Assignments>> C :: 174.638 CA :: 51.968 CB :: 44.421 CG :: 27.043 CD1 :: 25.483 CD2 :: 23.199 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 :: 7.372 HA :: 4.966 HB2 :: 1.711 HB3 :: 1.346 HG :: 1.586 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 HD21 :: 0.909 HD22 :: 0.909 HD23 :: 0.909 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 :: 119.137 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 0.99 C Shift Assignments>> C :: 178.256 CA :: 62.332 CB :: 33.232 CG :: 27.804 CD :: 50.632 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 :: 4.559 HB2 :: 2.442 HB3 :: 2.171 HG2 :: 2.048 HG3 :: 1.990 HD2 :: 3.812 HD3 :: 3.444 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.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.241 CA :: 62.934 CB :: 38.451 CD1 :: 132.901 CD2 :: 132.901 CE1 :: 118.389 CE2 :: 118.389 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 :: 8.933 HA :: 3.758 HB2 :: 3.030 HB3 :: 2.949 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.722 HE2 :: 6.722 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 :: 122.113 Ave N Shift Values>> N :: 120.79(4.69) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 Y 0.2 N 0.19 F 0.19 L 0.1 I 0.02 K 0.01 E 0.01 C Shift Assignments>> C :: 176.645 CA :: 55.335 CB :: 39.476 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 :: 8.439 HA :: 4.407 HB2 :: 2.844 HB3 :: 2.632 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 :: 115.019 Ave N Shift Values>> N :: 120.73(4.2) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.27 E 0.21 M 0.13 R 0.02 HN Overlap>> 1.N63 1.N63 C Shift Assignments>> C :: 175.665 CA :: 55.031 CB :: 29.606 CG :: 34.449 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 :: 7.761 HA :: 4.457 HB2 :: 2.558 HB3 :: 1.701 HG2 :: 2.314 HG3 :: 2.314 HE21 :: 7.760 HE22 :: 6.753 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.630 NE2 :: 112.841 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.32 C Shift Assignments>> C :: 177.103 CA :: 53.572 CB :: 18.951 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.379 HA :: 4.776 HB1 :: 0.908 HB2 :: 0.908 HB3 :: 0.908 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.425 Ave N Shift Values>> N :: 123.23(3.7) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.947 CA :: 56.852 CB :: 66.734 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.521 HA :: 4.861 HB2 :: 4.202 HB3 :: 3.846 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 :: 115.967 Ave N Shift Values>> N :: 116.3(3.95) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.92 H 0.07 HN Overlap>> 1.H27 1.H27 C Shift Assignments>> C :: 177.207 CA :: 56.648 CB :: 29.592 CD1 :: 127.735 CE3 :: 122.256 CZ2 :: 115.195 CZ3 :: 119.695 CH2 :: 122.666 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 :: 8.699 HA :: 5.081 HB2 :: 3.033 HB3 :: 2.866 HD1 :: 7.258 HE1 :: 10.186 HE3 :: 6.628 HZ2 :: 7.366 HZ3 :: 7.020 HH2 :: 6.630 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 :: 123.015 NE1 :: 130.168 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 E 0.2 Q 0.15 K 0.03 C Shift Assignments>> C :: 176.249 CA :: 53.378 CB :: 31.950 CG :: 34.985 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.773 HA :: 5.156 HB2 :: 2.291 HB3 :: 1.736 HG2 :: 2.435 HG3 :: 2.263 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.799 Ave N Shift Values>> N :: 120.68(3.68) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.218 CA :: 58.791 CB :: 63.100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.121 HA :: 4.106 HB2 :: 4.119 HB3 :: 3.884 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.892 Ave N Shift Values>> N :: 116.3(3.95) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Q 0.26 K 0.21 M 0.12 I 0.05 R 0.01 C Shift Assignments>> C :: 174.707 CA :: 58.693 CB :: 29.990 CG :: 34.620 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 :: 8.588 HA :: 4.327 HB2 :: 2.189 HB3 :: 2.104 HG2 :: 2.290 HG3 :: 2.112 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.534 Ave N Shift Values>> N :: 120.68(3.68) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.25 K 0.18 R 0.09 F 0.08 Y 0.06 N 0.05 C Shift Assignments>> C :: 176.853 CA :: 54.472 CB :: 41.795 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 :: 8.415 HA :: 4.847 HB2 :: 2.829 HB3 :: 2.616 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 :: 117.812 Ave N Shift Values>> N :: 120.73(4.2) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.326 CA :: 62.987 CB :: 32.759 CG1 :: 21.942 CG2 :: 21.485 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 :: 7.192 HA :: 4.137 HB :: 2.146 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.329 Ave N Shift Values>> N :: 121.02(4.96) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.19 Q 0.09 I 0.09 M 0.06 C Shift Assignments>> C :: 175.395 CA :: 56.376 CB :: 29.216 CG :: 36.229 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 :: 8.417 HA :: 4.526 HB2 :: 2.006 HB3 :: 1.949 HG2 :: 2.285 HG3 :: 2.189 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.475 Ave N Shift Values>> N :: 120.68(3.68) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 175.838 CA :: 60.572 CB :: 41.701 CG1 :: 27.554 CG2 :: 18.103 CD1 :: 13.256 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 :: 7.483 HA :: 4.068 HB :: 0.819 HG12 :: 1.063 HG13 :: 0.550 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: -0.032 HD12 :: -0.032 HD13 :: -0.032 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 :: 125.565 Ave N Shift Values>> N :: 121.6(4.72) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.33 R 0.12 E 0.11 M 0.04 I 0.02 C Shift Assignments>> C :: 176.011 CA :: 58.264 CB :: 28.458 CG :: 33.551 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 :: 9.055 HA :: 4.042 HB2 :: 2.154 HB3 :: 2.015 HG2 :: 2.355 HG3 :: 2.355 HE21 :: 7.615 HE22 :: 6.876 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 :: 130.354 NE2 :: 113.203 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 D 0.16 L 0.11 N 0.06 I 0.05 K 0.04 E 0.01 C Shift Assignments>> C :: 176.419 CA :: 56.605 CB :: 39.788 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.244 HA :: 4.529 HB2 :: 3.254 HB3 :: 3.210 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 :: 119.289 Ave N Shift Values>> N :: 120.73(4.2) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.807 CA :: 57.557 CB :: 37.745 CD1 :: 131.193 CD2 :: 131.193 CE1 :: 118.061 CE2 :: 118.061 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 :: 7.920 HA :: 4.388 HB2 :: 3.666 HB3 :: 3.508 HD1 :: 7.251 HD2 :: 7.251 HE1 :: 6.594 HE2 :: 6.594 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 :: 120.852 Ave N Shift Values>> N :: 120.79(4.69) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 I 0.1 L 0.08 D 0.08 K 0.05 N 0.01 E 0.01 C Shift Assignments>> C :: 178.492 CA :: 57.839 CB :: 39.955 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 :: 8.942 HA :: 4.155 HB2 :: 2.633 HB3 :: 2.633 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 :: 114.884 Ave N Shift Values>> N :: 120.73(4.2) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> C :: 180.237 CA :: 57.892 CB :: 41.204 CG :: 26.713 CD1 :: 24.784 CD2 :: 23.126 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 :: 7.585 HA :: 3.968 HB2 :: 1.620 HB3 :: 1.389 HG :: 1.433 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.609 HD22 :: 0.609 HD23 :: 0.609 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 :: 121.328 Ave N Shift Values>> N :: 121.98(4.07) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 179.437 CA :: 62.756 CB :: 38.803 CD1 :: 131.761 CD2 :: 131.761 CE1 :: 131.833 CE2 :: 131.833 CZ :: 131.336 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.735 HA :: 4.182 HB2 :: 2.959 HB3 :: 2.874 HD1 :: 7.387 HD2 :: 7.387 HE1 :: 7.361 HE2 :: 7.361 HZ :: 7.316 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 :: 118.200 Ave N Shift Values>> N :: 120.69(4.18) 1.K58 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.72 R 0.14 M 0.12 C Shift Assignments>> C :: 177.565 CA :: 60.851 CB :: 33.102 CG :: 25.272 CD :: 30.793 CE :: 40.403 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 :: 8.834 HA :: 3.515 HB2 :: 1.860 HB3 :: 1.801 HG2 :: 1.023 HG3 :: 0.244(S) HD2 :: 1.357 HD3 :: 1.220 HE2 :: 2.010(S) HE3 :: 1.184(A) 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 :: 123.283 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HE3 > HB2 : 0.9970) (HE3 > HB3 : 0.9974) (HE3 > HD2 : 0.9989) (HE3 > HD3 : 0.9989) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 Q 0.31 E 0.15 R 0.09 I 0.06 M 0.02 P 0.01 C Shift Assignments>> C :: 178.948 CA :: 59.249 CB :: 28.185 CG :: 33.979 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 :: 7.955 HA :: 4.104 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.496 HG3 :: 2.385 HE21 :: 7.476 HE22 :: 6.795 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.353 NE2 :: 111.771 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 1 C Shift Assignments>> C :: 176.403 CA :: 60.954 CB :: 63.007 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.821 HA :: 4.233 HB2 :: 3.926 HB3 :: 3.883 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.660 Ave N Shift Values>> N :: 116.3(3.95) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.97 F 0.02 C Shift Assignments>> C :: 177.358 CA :: 61.217 CB :: 38.470 CD1 :: 135.210 CD2 :: 135.210 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 :: 7.858 HA :: 4.084 HB2 :: 2.909 HB3 :: 2.802 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 :: 122.550 Ave N Shift Values>> N :: 120.79(4.69) 1.W62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.85 H 0.14 C Shift Assignments>> C :: 176.694 CA :: 58.061 CB :: 30.047 CD1 :: 129.026 CE3 :: 120.872 CZ2 :: 113.434 CZ3 :: 121.599 CH2 :: 123.916 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 :: 7.754 HA :: 4.273 HB2 :: 3.258 HB3 :: 2.898 HD1 :: 7.345 HE1 :: 10.659 HE3 :: 7.576 HZ2 :: 7.106 HZ3 :: 6.917 HH2 :: 6.020 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 :: 116.320 NE1 :: 127.952 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.2 Y 0.11 F 0.08 L 0.04 E 0.02 HN Overlap>> 1.Q41 1.Q41 C Shift Assignments>> C :: 174.055 CA :: 53.484 CB :: 38.645 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 :: 7.800 HA :: 4.688 HB2 :: 2.842 HB3 :: 2.752 HD21 :: 7.601 HD22 :: 6.873 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 :: 117.543 ND2 :: 112.718 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 179.203 CA :: 57.398 CB :: 30.081 CD2 :: 120.088 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 :: 7.732 HA :: 4.396 HB2 :: 3.183 HB3 :: 3.078 HD2 :: 7.055 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 :: 123.554 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 60 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 59 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 63 #Suspicious: 1 C Shift Results: #Consistent: 285 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 416 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 2 N Shift Results: #Consistent: 65 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I14 HB = 0.650(S), Expected = 1.80, Std = 0.3100, ChiSquare = 2.0752e-04 1.I14 HG21 = -0.436(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.0254e-05 1.I14 HG22 = -0.436(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.0254e-05 1.I14 HG23 = -0.436(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.0254e-05 1.L31 HB3 = -1.658(A), Expected = 1.57, Std = 0.3600, ChiSquare = 3.0562e-19 1.L31 HD21 = -0.623(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.8409e-07 1.L31 HD22 = -0.623(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.8409e-07 1.L31 HD23 = -0.623(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.8409e-07 1.I32 HG21 = -1.137(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.4007e-11 1.I32 HG22 = -1.137(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.4007e-11 1.I32 HG23 = -1.137(S), Expected = 0.80, Std = 0.2900, ChiSquare = 2.4007e-11 1.K58 HG3 = 0.244(S), Expected = 1.37, Std = 0.2900, ChiSquare = 1.0328e-04 1.K58 HE2 = 2.010(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.2249e-06 1.K58 HE3 = 1.184(A), Expected = 2.93, Std = 0.2000, ChiSquare = 2.5467e-18 1.K58 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K58 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.K58 SRO Rule Break>> HE3 > HD2 : 0.998931243320271 1.K58 SRO Rule Break>> HE3 > HD3 : 0.998948106591865