Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.35 Q 0.07 K 0.03 C Shift Assignments>> C :: 174.152 CA :: 53.578 CB :: 32.186 CG :: 32.054 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 :: 8.491 HA :: 4.786 HB2 :: 2.051 HB3 :: 1.935 HG2 :: 2.629 HG3 :: 2.545 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 :: 123.602 Ave N Shift Values>> N :: 120.1(3.88) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.757 CA :: 63.160 CB :: 32.145 CG :: 27.402 CD :: 50.779 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 :: 4.441 HB2 :: 2.302 HB3 :: 1.913 HG2 :: 2.018 HG3 :: 2.018 HD2 :: 3.817 HD3 :: 3.687 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.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 G 0.01 C Shift Assignments>> C :: 176.524 CA :: 56.349 CB :: 33.093 CG :: 24.759 CD :: 29.099 CE :: 42.181 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 :: 8.470 HA :: 4.291 HB2 :: 1.827 HB3 :: 1.762 HG2 :: 1.479 HG3 :: 1.436 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 3.005 HE3 :: 3.005 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 :: 121.873 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.643 CA :: 56.342 CB :: 63.368 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.373 HA :: 4.752 HB2 :: 3.873 HB3 :: 3.820 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 :: 118.565 Ave N Shift Values>> N :: 116.3(3.95) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.160 CB :: 32.145 CG :: 27.402 CD :: 50.764 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 :: 4.441 HB2 :: 2.302 HB3 :: 1.913 HG2 :: 2.018 HG3 :: 2.018 HD2 :: 3.829 HD3 :: 3.724 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.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.37 E 0.23 C Shift Assignments>> C :: 176.000 CA :: 55.896 CB :: 29.809 CG :: 33.888 CD :: 180.579 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 :: 8.467 HA :: 4.321 HB2 :: 1.968 HB3 :: 2.071 HG2 :: 2.383 HG3 :: 2.383 HE21 :: 7.628 HE22 :: 6.923 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 :: 121.100 NE2 :: 113.215 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.31 R 0.19 M 0.03 G 0.01 C Shift Assignments>> C :: 174.939 CA :: 54.291 CB :: 32.375 CG :: 24.947 CD :: 29.150 CE :: 42.203 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 :: 8.449 HA :: 4.571 HB2 :: 1.820 HB3 :: 1.697 HG2 :: 1.506 HG3 :: 1.418 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.982 HE3 :: 2.982 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 :: 124.303 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 62.863 CB :: 31.149 CG :: 27.738 CD :: 50.604 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 :: 4.613 HB2 :: 2.168 HB3 :: 2.168 HG2 :: 2.161 HG3 :: 2.083 HD2 :: 3.779 HD3 :: 3.679 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.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.44 I 0.07 A 0.01 C Shift Assignments>> C :: 175.268 CA :: 59.453 CB :: 44.150 CG1 :: 25.680 CG2 :: 19.468 CD1 :: 14.110 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 :: 8.446 HA :: 5.082 HB :: 1.761 HG12 :: 1.327 HG13 :: 1.058 HG21 :: 0.748 HG22 :: 0.748 HG23 :: 0.748 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 120.376 Ave N Shift Values>> N :: 121.6(4.72) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.969 CA :: 61.994 CB :: 35.008 CG1 :: 21.599 CG2 :: 22.143 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 :: 8.857 HA :: 4.294 HB :: 1.729 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.774 HG22 :: 0.774 HG23 :: 0.774 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 :: 120.623 Ave N Shift Values>> N :: 121.02(4.96) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.34 K 0.2 G 0.06 C Shift Assignments>> C :: 174.582 CA :: 56.316 CB :: 31.470 CG :: 27.999 CD :: 43.307 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 :: 8.201 HA :: 4.553 HB2 :: 1.790 HB3 :: 1.756 HG2 :: 1.607 HG3 :: 1.467 HD2 :: 3.176 HD3 :: 3.176 HE :: 7.317 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 :: 126.163 NE :: 84.045 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.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.288 CA :: 60.982 CB :: 34.123 CG1 :: 21.750 CG2 :: 21.535 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 :: 8.538 HA :: 4.636 HB :: 1.711 HG11 :: 0.633 HG12 :: 0.633 HG13 :: 0.633 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.328 Ave N Shift Values>> N :: 121.02(4.96) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 174.495 CA :: 57.644 CB :: 39.458 CD1 :: 131.273 CD2 :: 131.273 CE1 :: 131.133 CE2 :: 131.133 CZ :: 129.751 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 :: 9.131 HA :: 4.643 HB2 :: 3.046 HB3 :: 2.338 HD1 :: 6.908 HD2 :: 6.908 HE1 :: 7.147 HE2 :: 7.147 HZ :: 7.237 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 :: 127.959 Ave N Shift Values>> N :: 120.69(4.18) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.21 R 0.05 A 0.02 G 0.01 C Shift Assignments>> CA :: 53.088 CB :: 41.905 CG :: 27.461 CD1 :: 25.294 CD2 :: 23.661 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 :: 8.556 HA :: 4.681 HB2 :: 1.558 HB3 :: 1.532 HG :: 1.457 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 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 :: 124.479 Ave N Shift Values>> N :: 121.98(4.07) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> CA :: 63.772 CB :: 32.025 CG :: 28.421 CD :: 50.255 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 :: 4.619 HB2 :: 2.561 HB3 :: 1.833 HG2 :: 2.013 HG3 :: 1.960 HD2 :: 3.595 HD3 :: 3.411 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.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.33 D 0.14 E 0.07 C Shift Assignments>> C :: 174.892 CA :: 53.998 CB :: 37.046 CG :: 178.447 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 :: 8.845 HA :: 4.482 HB2 :: 3.010 HB3 :: 2.956 HD21 :: 7.624 HD22 :: 6.905 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 :: 112.386 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 K 0.23 G 0.01 C Shift Assignments>> C :: 175.999 CA :: 57.861 CB :: 29.331 CG :: 25.587 CD :: 29.412 CE :: 42.343 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 :: 8.721 HA :: 3.975 HB2 :: 2.128 HB3 :: 2.057 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 1.758 HD3 :: 1.697 HE2 :: 3.034 HE3 :: 3.034 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 :: 111.363 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.36 E 0.24 C Shift Assignments>> C :: 175.036 CA :: 55.153 CB :: 30.170 CG :: 34.132 CD :: 180.539 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 :: 7.013 HA :: 4.519 HB2 :: 2.048 HB3 :: 1.876 HG2 :: 2.446 HG3 :: 2.381 HE21 :: 7.545 HE22 :: 6.992 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 :: 117.906 NE2 :: 113.037 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.26 K 0.14 G 0.12 C Shift Assignments>> C :: 175.221 CA :: 54.905 CB :: 33.543 CG :: 26.507 CD :: 43.532 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 :: 8.649 HA :: 5.081 HB2 :: 1.662 HB3 :: 1.455 HG2 :: 1.246 HG3 :: 1.226 HD2 :: 2.887 HD3 :: 2.869 HE :: 7.024 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.115 NE :: 85.118 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.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.26 A 0.01 C Shift Assignments>> C :: 171.661 CA :: 60.211 CB :: 69.789 CG2 :: 18.252 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 :: 8.842 HA :: 4.679 HB :: 3.980 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 115.825 Ave N Shift Values>> N :: 115.7(5.05) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.48 C Shift Assignments>> C :: 175.212 CA :: 60.556 CB :: 35.056 CG1 :: 22.112 CG2 :: 20.537 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 :: 8.222 HA :: 5.014 HB :: 1.909 HG11 :: 0.875 HG12 :: 0.875 HG13 :: 0.875 HG21 :: 0.854 HG22 :: 0.854 HG23 :: 0.854 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 :: 121.686 Ave N Shift Values>> N :: 121.02(4.96) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.22 A 0.08 C Shift Assignments>> C :: 172.475 CA :: 57.386 CB :: 33.372 CG1 :: 21.779 CG2 :: 19.020 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 :: 8.635 HA :: 5.023 HB :: 2.246 HG11 :: 0.889 HG12 :: 0.889 HG13 :: 0.889 HG21 :: 0.690 HG22 :: 0.690 HG23 :: 0.690 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 :: 118.521 Ave N Shift Values>> N :: 121.02(4.96) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.404 CA :: 62.395 CB :: 32.365 CG :: 27.602 CD :: 50.838 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 :: 4.624 HB2 :: 2.369 HB3 :: 1.810 HG2 :: 2.128 HG3 :: 2.029 HD2 :: 3.835 HD3 :: 3.835 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 C Shift Assignments>> C :: 174.828 CA :: 49.920 CB :: 18.831 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.135 HA :: 4.359 HB1 :: 0.991 HB2 :: 0.991 HB3 :: 0.991 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.629 Ave N Shift Values>> N :: 123.23(3.7) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.13 G 0.08 C Shift Assignments>> C :: 174.255 CA :: 55.289 CB :: 31.741 CG :: 27.256 CD :: 43.433 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.764 HA :: 4.286 HB2 :: 1.746 HB3 :: 1.541 HG2 :: 1.586 HG3 :: 1.547 HD2 :: 3.193 HD3 :: 3.193 HE :: 7.229 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.703 NE :: 84.704 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.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 R 0.17 C 0.14 W 0.09 Q 0.07 K 0.07 L 0.06 H 0.05 E 0.05 P 0.02 C Shift Assignments>> C :: 175.947 CA :: 59.603 CB :: 27.145 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.394 HA :: 4.465 HB2 :: 2.928 HB3 :: 2.879 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 :: 121.473 Ave N Shift Values>> N :: 119.95(4.79) 1.G37 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 0.05 C Shift Assignments>> C :: 173.477 CA :: 45.150 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.708 HA2 :: 4.184 HA3 :: 3.566 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.769 Ave N Shift Values>> N :: 109.91(4.29) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.393 CA :: 60.718 CB :: 33.122 CG1 :: 21.627 CG2 :: 21.789 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 :: 7.422 HA :: 4.493 HB :: 2.009 HG11 :: 1.097 HG12 :: 1.097 HG13 :: 1.097 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.075 Ave N Shift Values>> N :: 121.02(4.96) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 178.293 CA :: 61.519 CB :: 72.284 CG2 :: 22.305 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 :: 8.853 HA :: 4.823 HB :: 4.905 HG21 :: 1.335 HG22 :: 1.335 HG23 :: 1.335 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.161 Ave N Shift Values>> N :: 115.7(5.05) 1.V40 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 :: 178.082 CA :: 67.928 CB :: 31.665 CG1 :: 22.329 CG2 :: 23.534 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 :: 8.840 HA :: 3.520 HB :: 2.333 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 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 :: 124.622 Ave N Shift Values>> N :: 121.02(4.96) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.39 G 0.08 K 0.07 C Shift Assignments>> C :: 177.717 CA :: 60.633 CB :: 30.855 CG :: 26.916 CD :: 43.155 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 :: 8.901 HA :: 4.065 HB2 :: 1.834 HB3 :: 2.152 HG2 :: 1.295 HG3 :: 1.021 HD2 :: 3.149 HD3 :: 3.014 HE :: 7.665 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.002 NE :: 82.998 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.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.07 I 0.06 K 0.03 N 0.02 E 0.01 C Shift Assignments>> C :: 179.428 CA :: 57.387 CB :: 39.873 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 :: 8.173 HA :: 4.453 HB2 :: 2.659 HB3 :: 2.766 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 :: 118.300 Ave N Shift Values>> N :: 120.73(4.2) 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 :: 175.403 CA :: 61.740 CB :: 63.328 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.559 HA :: 4.305 HB2 :: 3.711 HB3 :: 4.178 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 :: 116.587 Ave N Shift Values>> N :: 116.3(3.95) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.28 R 0.23 G 0.06 C Shift Assignments>> C :: 176.932 CA :: 55.358 CB :: 43.236 CG :: 28.482 CD1 :: 25.278 CD2 :: 24.446 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 :: 7.855 HA :: 4.506 HB2 :: 1.915 HB3 :: 1.699 HG :: 1.801 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.770 HD22 :: 0.770 HD23 :: 0.770 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.396 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 0.46 K 0.37 R 0.11 G 0.02 M 0.01 C Shift Assignments>> C :: 177.764 CA :: 61.723 CB :: 32.110 CG :: 24.512 CD :: 29.799 CE :: 42.115 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.750 HA :: 3.727 HB2 :: 2.027 HB3 :: 1.886 HG2 :: 1.463 HG3 :: 1.396 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.971 HE3 :: 2.971 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.105 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.19 G 0.01 M 0.01 C Shift Assignments>> C :: 178.165 CA :: 60.113 CB :: 31.815 CG :: 25.264 CD :: 29.290 CE :: 42.184 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 :: 8.619 HA :: 4.074 HB2 :: 1.862 HB3 :: 1.862 HG2 :: 1.516 HG3 :: 1.420 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.023 HE3 :: 3.022 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 :: 120.459 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 C Shift Assignments>> C :: 180.924 CA :: 54.775 CB :: 17.523 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.383 HA :: 4.028 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.321 Ave N Shift Values>> N :: 123.23(3.7) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.46 R 0.01 C Shift Assignments>> C :: 179.359 CA :: 58.131 CB :: 40.133 CG :: 27.593 CD1 :: 25.778 CD2 :: 23.700 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.176 HA :: 3.956 HB2 :: 1.347 HB3 :: 1.690 HG :: 1.839 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 HD21 :: 0.763 HD22 :: 0.763 HD23 :: 0.763 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 :: 115.747 Ave N Shift Values>> N :: 121.98(4.07) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.35 Q 0.08 K 0.05 E 0.02 R 0.01 C Shift Assignments>> C :: 180.715 CA :: 59.081 CB :: 31.992 CG :: 32.180 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 :: 8.535 HA :: 4.359 HB2 :: 2.258 HB3 :: 2.257 HG2 :: 2.759 HG3 :: 2.653 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 :: 121.675 Ave N Shift Values>> N :: 120.1(3.88) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.36 Q 0.12 K 0.05 E 0.04 C Shift Assignments>> C :: 176.885 CA :: 57.999 CB :: 32.609 CG :: 31.984 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 :: 8.228 HA :: 4.290 HB2 :: 2.191 HB3 :: 2.191 HG2 :: 2.736 HG3 :: 2.736 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 :: 118.534 Ave N Shift Values>> N :: 120.1(3.88) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.32 K 0.13 G 0.06 C Shift Assignments>> C :: 175.797 CA :: 54.857 CB :: 30.349 CG :: 27.829 CD :: 43.198 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 :: 7.355 HA :: 4.517 HB2 :: 2.254 HB3 :: 1.571 HG2 :: 1.716 HG3 :: 1.699 HD2 :: 3.184 HD3 :: 3.078 HE :: 7.425 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 :: 117.164 NE :: 85.135 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.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.886 CA :: 46.206 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.891 HA2 :: 4.023 HA3 :: 3.822 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.207 Ave N Shift Values>> N :: 109.91(4.29) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.32 C 0.14 A 0.04 R 0.01 C Shift Assignments>> C :: 175.231 CA :: 53.087 CB :: 44.999 CG :: 26.754 CD1 :: 25.812 CD2 :: 23.174 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 :: 7.880 HA :: 4.665 HB2 :: 1.030 HB3 :: 1.538 HG :: 1.480 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 120.153 Ave N Shift Values>> N :: 121.98(4.07) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.47 A 0.04 C Shift Assignments>> CA :: 57.842 CB :: 39.348 CG1 :: 26.257 CG2 :: 18.172 CD1 :: 13.082 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.645 HA :: 4.642 HB :: 1.975 HG12 :: 1.350 HG13 :: 1.186 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 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 :: 115.941 Ave N Shift Values>> N :: 121.6(4.72) 1.P55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.814 CA :: 66.263 CB :: 30.280 CG :: 27.417 CD :: 50.249 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.394 HB2 :: 1.020 HB3 :: 0.316(S) HG2 :: 1.782 HG3 :: 1.225 HD2 :: 3.811 HD3 :: 3.692 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.34 E 0.19 K 0.02 C Shift Assignments>> C :: 177.336 CA :: 59.817 CB :: 28.630 CG :: 37.631 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 :: 8.708 HA :: 4.018 HB2 :: 2.021 HB3 :: 1.951 HG2 :: 2.483 HG3 :: 2.206 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 :: 112.294 Ave N Shift Values>> N :: 120.68(3.68) 1.C57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.13 K 0.13 C 0.12 Q 0.12 H 0.11 R 0.09 I 0.07 M 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 173.349 CA :: 58.467 CB :: 29.102 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.827 HA :: 4.851 HB2 :: 3.154 HB3 :: 3.393 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 :: 115.409 Ave N Shift Values>> N :: 119.95(4.79) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.16 M 0.12 Q 0.11 W 0.09 V 0.09 R 0.07 E 0.05 H 0.05 C Shift Assignments>> C :: 172.183 CA :: 58.529 CB :: 32.891 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.165 HA :: 5.538 HB2 :: 3.155 HB3 :: 2.985 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 :: 117.460 Ave N Shift Values>> N :: 119.95(4.79) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.22 C 0.18 M 0.1 K 0.05 HN Overlap>> 1.I63 1.I63 C Shift Assignments>> C :: 174.972 CA :: 51.161 CB :: 22.940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.360 HA :: 4.726 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.560 Ave N Shift Values>> N :: 123.23(3.7) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 V 0.49 C Shift Assignments>> C :: 174.489 CA :: 59.295 CB :: 33.390 CG1 :: 20.876 CG2 :: 21.090 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 :: 8.100 HA :: 5.076 HB :: 1.330 HG11 :: 0.145 HG12 :: 0.145 HG13 :: 0.145 HG21 :: -0.046 HG22 :: -0.046 HG23 :: -0.046 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 :: 118.193 Ave N Shift Values>> N :: 121.02(4.96) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> C :: 173.815 CA :: 56.295 CB :: 41.617 CD1 :: 133.600 CD2 :: 133.600 CE1 :: 117.808 CE2 :: 117.808 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 :: 8.821 HA :: 5.253 HB2 :: 2.630 HB3 :: 2.811 HD1 :: 6.595 HD2 :: 6.595 HE1 :: 6.346 HE2 :: 6.346 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 :: 121.580 Ave N Shift Values>> N :: 120.79(4.69) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.23 G 0.23 K 0.06 C Shift Assignments>> C :: 174.133 CA :: 53.658 CB :: 33.590 CG :: 26.762 CD :: 43.768 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 :: 8.955 HA :: 5.117 HB2 :: 1.700 HB3 :: 2.040 HG2 :: 1.679 HG3 :: 1.518 HD2 :: 3.188 HD3 :: 2.973 HE :: 7.546 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 :: 118.371 NE :: 83.740 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.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 HN Overlap>> 1.A59 1.A59 C Shift Assignments>> C :: 176.013 CA :: 59.844 CB :: 37.715 CG1 :: 27.362 CG2 :: 16.993 CD1 :: 11.704 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 :: 9.338 HA :: 4.868 HB :: 1.733 HG12 :: 1.216 HG13 :: 0.871 HG21 :: 0.635 HG22 :: 0.635 HG23 :: 0.635 HD11 :: 0.424 HD12 :: 0.424 HD13 :: 0.424 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 :: 123.486 Ave N Shift Values>> N :: 121.6(4.72) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 Q 0.4 E 0.11 C Shift Assignments>> C :: 175.115 CA :: 54.800 CB :: 31.822 CG :: 33.645 CD :: 179.709 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.978 HA :: 4.646 HB2 :: 1.885 HB3 :: 1.804 HG2 :: 2.279 HG3 :: 2.226 HE21 :: 7.657 HE22 :: 6.875 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 :: 128.571 NE2 :: 112.459 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 C 0.18 D 0.18 F 0.17 N 0.13 L 0.08 I 0.02 E 0.01 K 0.01 C Shift Assignments>> C :: 175.857 CA :: 55.657 CB :: 39.421 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 :: 9.634 HA :: 4.307 HB2 :: 2.723 HB3 :: 2.953 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 :: 128.757 Ave N Shift Values>> N :: 120.73(4.2) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.507 CA :: 45.457 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.291 HA2 :: 4.104 HA3 :: 3.472 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.770 Ave N Shift Values>> N :: 109.91(4.29) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.34 E 0.17 Q 0.1 K 0.02 C Shift Assignments>> C :: 174.719 CA :: 54.379 CB :: 31.977 CG :: 35.073 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 :: 7.826 HA :: 4.552 HB2 :: 2.026 HB3 :: 1.955 HG2 :: 2.321 HG3 :: 2.197 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 :: 120.454 Ave N Shift Values>> N :: 120.68(3.68) 1.K68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.09 M 0.03 C Shift Assignments>> C :: 176.115 CA :: 56.725 CB :: 32.705 CG :: 25.145 CD :: 29.351 CE :: 41.052 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 :: 8.585 HA :: 4.322 HB2 :: 1.415 HB3 :: 1.149 HG2 :: 1.039 HG3 :: 0.646 HD2 :: 0.980 HD3 :: 0.837 HE2 :: 2.110(S) HE3 :: 2.043(S) 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 :: 123.389 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.31 R 0.14 G 0.04 M 0.02 A 0.01 C Shift Assignments>> C :: 173.578 CA :: 51.925 CB :: 32.916 CG :: 24.255 CD :: 28.771 CE :: 42.321 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 :: 9.339 HA :: 5.010 HB2 :: 1.852 HB3 :: 1.811 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.687 HD3 :: 1.615 HE2 :: 2.971 HE3 :: 2.912 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.747 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.284 CA :: 63.189 CB :: 32.725 CG :: 27.435 CD :: 51.309 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 :: 4.502 HB2 :: 2.320 HB3 :: 1.875 HG2 :: 2.124 HG3 :: 2.000 HD2 :: 3.900 HD3 :: 3.826 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.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.45 A 0.04 C Shift Assignments>> C :: 174.924 CA :: 57.629 CB :: 40.139 CG1 :: 26.533 CG2 :: 17.448 CD1 :: 13.103 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 :: 8.068 HA :: 4.347 HB :: 1.434 HG12 :: 1.258 HG13 :: 1.258 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 HD11 :: 0.723 HD12 :: 0.723 HD13 :: 0.723 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.723 Ave N Shift Values>> N :: 121.6(4.72) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 176.340 CA :: 45.451 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.536 HA2 :: 4.109 HA3 :: 3.771 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.926 Ave N Shift Values>> N :: 109.91(4.29) 1.W73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.46 H 0.01 C Shift Assignments>> C :: 176.297 CA :: 60.572 CB :: 30.666 CD1 :: 127.977 CE3 :: 119.357 CZ2 :: 115.720 CZ3 :: 120.832 CH2 :: 122.561 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 :: 8.971 HA :: 4.247 HB2 :: 3.236 HB3 :: 3.161 HD1 :: 7.494 HE1 :: 9.807 HE3 :: 7.329 HZ2 :: 7.217 HZ3 :: 6.780 HH2 :: 6.696 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 :: 125.240 NE1 :: 129.161 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.19 L 0.13 C 0.12 F 0.09 Y 0.08 K 0.04 C Shift Assignments>> C :: 175.072 CA :: 54.044 CB :: 40.309 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 :: 8.602 HA :: 4.915 HB2 :: 2.926 HB3 :: 2.674 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 :: 114.142 Ave N Shift Values>> N :: 120.73(4.2) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 172.855 CA :: 63.213 CB :: 70.027 CG2 :: 21.748 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.277 HA :: 3.893 HB :: 3.963 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 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 :: 115.433 Ave N Shift Values>> N :: 115.7(5.05) 1.D76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.16 C 0.1 F 0.07 R 0.07 Y 0.06 N 0.05 C Shift Assignments>> C :: 177.302 CA :: 54.518 CB :: 41.684 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 :: 7.509 HA :: 4.193 HB2 :: 1.678(S) HB3 :: 1.900 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.656 Ave N Shift Values>> N :: 120.73(4.2) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 176.338 CA :: 61.903 CB :: 39.726 CG1 :: 29.375 CG2 :: 19.983 CD1 :: 15.301 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 :: 9.133 HA :: 3.847 HB :: 1.407 HG12 :: 1.392 HG13 :: 1.373 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 128.964 Ave N Shift Values>> N :: 121.6(4.72) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.888 CA :: 61.166 CB :: 63.128 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.991 HA :: 3.891 HB2 :: 3.911 HB3 :: 3.525 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 :: 118.157 Ave N Shift Values>> N :: 116.3(3.95) 1.W79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.42 H 0.02 C Shift Assignments>> C :: 176.689 CA :: 57.611 CB :: 28.548 CD1 :: 125.757 CE3 :: 121.303 CZ2 :: 114.902 CZ3 :: 121.377 CH2 :: 124.947 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 :: 7.966 HA :: 4.758 HB2 :: 3.273 HB3 :: 3.449 HD1 :: 7.237 HE1 :: 10.174 HE3 :: 7.689 HZ2 :: 7.539 HZ3 :: 7.200 HH2 :: 7.289 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 :: 124.315 NE1 :: 128.448 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.25 R 0.1 A 0.05 G 0.01 K 0.01 C Shift Assignments>> C :: 174.862 CA :: 53.183 CB :: 41.868 CG :: 27.225 CD1 :: 27.215 CD2 :: 23.277 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 :: 7.877 HA :: 4.496 HB2 :: 1.803 HB3 :: 1.761 HG :: 1.559 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.855 Ave N Shift Values>> N :: 121.98(4.07) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.562 CA :: 65.579 CB :: 69.238 CG2 :: 22.046 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.046 HA :: 3.518 HB :: 4.073 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.756 Ave N Shift Values>> N :: 115.7(5.05) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.358 CA :: 45.738 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.043 HA2 :: 3.904 HA3 :: 4.289 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.559 Ave N Shift Values>> N :: 109.91(4.29) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.26 M 0.17 Q 0.14 K 0.1 C Shift Assignments>> C :: 174.541 CA :: 55.169 CB :: 30.446 CG :: 35.283 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.317 HA :: 4.686 HB2 :: 2.136 HB3 :: 2.152 HG2 :: 2.215 HG3 :: 2.215 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.115 Ave N Shift Values>> N :: 120.68(3.68) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.3 M 0.2 K 0.01 I 0.01 C Shift Assignments>> C :: 175.718 CA :: 54.552 CB :: 31.572 CG :: 36.885 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 :: 8.461 HA :: 5.174 HB2 :: 2.096 HB3 :: 1.868 HG2 :: 2.410 HG3 :: 2.094 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 :: 118.216 Ave N Shift Values>> N :: 120.68(3.68) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.4 C 0.14 A 0.02 R 0.01 C Shift Assignments>> C :: 175.693 CA :: 52.950 CB :: 44.692 CG :: 26.990 CD1 :: 25.055 CD2 :: 23.709 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 :: 8.993 HA :: 4.962 HB2 :: 1.233 HB3 :: 1.521 HG :: 1.541 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.712 HD22 :: 0.712 HD23 :: 0.712 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.399 Ave N Shift Values>> N :: 121.98(4.07) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 C 0.29 W 0.23 C Shift Assignments>> C :: 172.642 CA :: 54.396 CB :: 30.441 CD2 :: 118.364 CE1 :: 136.223 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 :: 9.181 HA :: 5.078 HB2 :: 2.682 HB3 :: 1.830 HD2 :: 6.955 HE1 :: 8.019 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 :: 120.029 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.856 CA :: 60.845 CB :: 33.829 CG1 :: 21.513 CG2 :: 21.866 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 :: 8.553 HA :: 4.993 HB :: 2.013 HG11 :: 0.990 HG12 :: 0.990 HG13 :: 0.990 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.192 Ave N Shift Values>> N :: 121.02(4.96) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.3 E 0.07 Q 0.01 C Shift Assignments>> C :: 174.938 CA :: 53.453 CB :: 33.759 CG :: 35.486 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 :: 9.145 HA :: 4.977 HB2 :: 2.024 HB3 :: 2.163 HG2 :: 2.368 HG3 :: 2.241 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 :: 125.174 Ave N Shift Values>> N :: 120.68(3.68) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.779 CA :: 63.078 CB :: 32.474 CG1 :: 21.715 CG2 :: 22.211 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 :: 8.831 HA :: 4.450 HB :: 2.071 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.494 Ave N Shift Values>> N :: 121.02(4.96) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.27 R 0.11 A 0.02 G 0.02 C Shift Assignments>> C :: 177.088 CA :: 55.392 CB :: 42.389 CG :: 27.193 CD1 :: 25.518 CD2 :: 23.116 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 :: 8.707 HA :: 4.358 HB2 :: 1.643 HB3 :: 1.487 HG :: 1.460 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 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 :: 127.888 Ave N Shift Values>> N :: 121.98(4.07) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Q 0.17 K 0.14 M 0.12 I 0.01 C Shift Assignments>> C :: 175.787 CA :: 56.107 CB :: 30.144 CG :: 35.066 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 :: 8.389 HA :: 4.355 HB2 :: 2.075 HB3 :: 1.948 HG2 :: 2.379 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 :: 120.666 Ave N Shift Values>> N :: 120.68(3.68) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.3 C 0.18 C Shift Assignments>> C :: 174.544 CA :: 53.181 CB :: 38.929 CG :: 177.252 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 :: 8.496 HA :: 4.696 HB2 :: 2.797 HB3 :: 2.753 HD21 :: 7.625 HD22 :: 6.915 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.027 ND2 :: 113.094 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 174.404 CA :: 59.948 CB :: 32.712 CG1 :: 21.173 CG2 :: 20.562 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 :: 8.050 HA :: 4.422 HB :: 2.088 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 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 :: 121.763 Ave N Shift Values>> N :: 121.02(4.96) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.16 C Shift Assignments>> C :: 176.022 CA :: 63.457 CB :: 31.762 CG :: 27.401 CD :: 51.031 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 :: 4.438 HB2 :: 2.259 HB3 :: 1.975 HG2 :: 2.064 HG3 :: 1.974 HD2 :: 3.860 HD3 :: 3.694 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.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.28 R 0.12 G 0.08 C Shift Assignments>> CA :: 56.568 CB :: 43.397 CG :: 27.217 CD1 :: 25.282 CD2 :: 23.678 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 :: 7.951 HA :: 4.183 HB2 :: 1.580 HB3 :: 1.580 HG :: 1.673 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.140 Ave N Shift Values>> N :: 121.98(4.07) ########################################################################### Overall Results: #Consistent: 92 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 85 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 95 #Suspicious: 0 C Shift Results: #Consistent: 394 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 636 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P55 HB3 = 0.316(S), Expected = 2.05, Std = 0.3900, ChiSquare = 8.7421e-06 1.K68 HE2 = 2.110(S), Expected = 2.93, Std = 0.2000, ChiSquare = 4.1315e-05 1.K68 HE3 = 2.043(S), Expected = 2.93, Std = 0.2000, ChiSquare = 9.2072e-06 1.D76 HB2 = 1.678(S), Expected = 2.74, Std = 0.2900, ChiSquare = 2.5019e-04