Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.468 CA :: 58.313 CB :: 64.149 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.532 HB2 :: 3.916 HB3 :: 3.916 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.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.482 CA :: 45.129 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.292 HA2 :: 3.905 HA3 :: 4.327 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.185 Ave N Shift Values>> N :: 109.91(4.29) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 171.414 CA :: 45.359 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.712 HA2 :: 3.905 HA3 :: 4.304 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.680 Ave N Shift Values>> N :: 109.91(4.29) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.21 C Shift Assignments>> C :: 174.102 CA :: 59.654 CB :: 71.470 CG2 :: 21.872 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 :: 7.877 HA :: 5.286 HB :: 3.895 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 110.551 Ave N Shift Values>> N :: 115.7(5.05) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.31 L 0.25 A 0.01 C Shift Assignments>> C :: 175.149 CA :: 53.371 CB :: 47.205 CG :: 26.215 CD1 :: 25.010 CD2 :: 24.710 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 :: 8.523 HA :: 4.270 HB2 :: 1.196 HB3 :: 0.924 HG :: 1.207 HD11 :: 0.153 HD12 :: 0.153 HD13 :: 0.153 HD21 :: 0.217 HD22 :: 0.217 HD23 :: 0.217 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 :: 121.487 Ave N Shift Values>> N :: 121.98(4.07) 1.R13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.37 G 0.1 K 0.07 C Shift Assignments>> C :: 174.893 CA :: 56.054 CB :: 31.203 CG :: 26.745 CD :: 43.668 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 :: 8.204 HA :: 4.475 HB2 :: 1.599 HB3 :: 0.983 HG2 :: 1.381 HG3 :: 0.989 HD2 :: 1.642(S) HD3 :: 2.553 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.352 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.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.28 A 0.02 C Shift Assignments>> C :: 176.328 CA :: 58.277 CB :: 38.417 CG1 :: 25.382 CG2 :: 17.019 CD1 :: 9.888 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 :: 8.828 HA :: 4.635 HB :: 1.873 HG12 :: 1.369 HG13 :: 1.471 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 HD11 :: 0.515 HD12 :: 0.515 HD13 :: 0.515 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 :: 123.999 Ave N Shift Values>> N :: 121.6(4.72) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 174.176 CA :: 59.124 CB :: 40.954 CD1 :: 134.502 CD2 :: 134.502 CE1 :: 117.771 CE2 :: 117.771 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 :: 9.047 HA :: 4.601 HB2 :: 2.819 HB3 :: 3.139 HD1 :: 7.475 HD2 :: 7.475 HE1 :: 6.709 HE2 :: 6.709 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 :: 130.751 Ave N Shift Values>> N :: 120.79(4.69) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 178.324 CA :: 50.793 CB :: 18.500 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.885 HA :: 5.035 HB1 :: 0.623 HB2 :: 0.623 HB3 :: 0.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.305 Ave N Shift Values>> N :: 123.23(3.7) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.19 Y 0.14 C 0.14 L 0.11 R 0.09 I 0.04 D 0.04 C Shift Assignments>> C :: 177.411 CA :: 58.348 CB :: 41.653 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 :: 8.523 HA :: 4.338 HB2 :: 2.558 HB3 :: 2.706 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.363 Ave N Shift Values>> N :: 120.73(4.2) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.553 CA :: 59.866 CB :: 63.491 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.859 HA :: 4.327 HB2 :: 3.893 HB3 :: 3.893 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.457 Ave N Shift Values>> N :: 116.3(3.95) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.26 G 0.14 R 0.08 C Shift Assignments>> C :: 176.694 CA :: 55.842 CB :: 43.776 CG :: 26.745 CD1 :: 23.568 CD2 :: 25.421 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 :: 7.651 HA :: 4.487 HB2 :: 1.413 HB3 :: 1.565 HG :: 1.574 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.673 HD22 :: 0.673 HD23 :: 0.673 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 :: 121.302 Ave N Shift Values>> N :: 121.98(4.07) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.34 R 0.11 M 0.03 G 0.02 C Shift Assignments>> C :: 172.600 CA :: 53.230 CB :: 33.634 CG :: 24.362 CD :: 29.392 CE :: 42.362 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 :: 8.111 HA :: 4.700 HB2 :: 1.731 HB3 :: 1.825 HG2 :: 1.271 HG3 :: 1.438 HD2 :: 1.725 HD3 :: 1.841 HE2 :: 3.047 HE3 :: 2.946 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 :: 118.148 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.302 CA :: 63.925 CB :: 32.181 CG :: 27.136 CD :: 50.331 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 :: 4.487 HB2 :: 2.399 HB3 :: 1.953 HG2 :: 1.999 HG3 :: 1.999 HD2 :: 3.414 HD3 :: 3.654 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.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.23 Y 0.12 D 0.09 F 0.07 E 0.07 M 0.02 L 0.01 I 0.01 C Shift Assignments>> C :: 174.468 CA :: 54.183 CB :: 37.788 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 :: 8.885 HA :: 4.521 HB2 :: 2.923 HB3 :: 2.923 HD21 :: 6.953 HD22 :: 7.599 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 :: 114.759 ND2 :: 113.693 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.45 A 0.03 C Shift Assignments>> C :: 173.982 CA :: 57.889 CB :: 38.921 CG1 :: 27.009 CG2 :: 17.634 CD1 :: 13.003 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 :: 7.723 HA :: 4.628 HB :: 2.044 HG12 :: 1.276 HG13 :: 1.502 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 120.973 Ave N Shift Values>> N :: 121.6(4.72) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.203 CA :: 64.207 CB :: 32.303 CG :: 27.630 CD :: 50.975 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 :: 4.369 HB2 :: 2.267 HB3 :: 1.732 HG2 :: 1.896 HG3 :: 1.896 HD2 :: 3.619 HD3 :: 3.848 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.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 H 0.01 C Shift Assignments>> C :: 174.382 CA :: 56.760 CB :: 37.376 CD1 :: 133.206 CD2 :: 133.206 CE1 :: 117.723 CE2 :: 117.723 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 :: 6.660 HA :: 4.772 HB2 :: 2.136 HB3 :: 2.341 HD1 :: 6.665 HD2 :: 6.665 HE1 :: 6.635 HE2 :: 6.635 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 :: 111.898 Ave N Shift Values>> N :: 120.79(4.69) 1.K26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 K 0.18 A 0.14 G 0.04 R 0.02 C Shift Assignments>> C :: 174.796 CA :: 52.541 CB :: 35.733 CG :: 22.941 CD :: 27.803 CE :: 42.144 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 :: 7.588 HA :: 4.510 HB2 :: 1.122 HB3 :: 1.295 HG2 :: -0.011(S) HG3 :: 0.549 HD2 :: 1.012 HD3 :: 1.383 HE2 :: 2.410 HE3 :: 2.615 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.377 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.370 CA :: 60.924 CB :: 70.235 CG2 :: 21.872 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 :: 8.202 HA :: 5.092 HB :: 3.848 HG21 :: 1.052 HG22 :: 1.052 HG23 :: 1.052 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.945 Ave N Shift Values>> N :: 115.7(5.05) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.48 A 0.01 HN Overlap>> 1.R92 1.R92 C Shift Assignments>> C :: 173.226 CA :: 58.931 CB :: 41.242 CG1 :: 25.162 CG2 :: 17.266 CD1 :: 14.510 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 :: 8.596 HA :: 4.672 HB :: 1.725 HG12 :: 1.265 HG13 :: 1.019 HG21 :: 0.646 HG22 :: 0.646 HG23 :: 0.646 HD11 :: 0.675 HD12 :: 0.675 HD13 :: 0.675 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.733 Ave N Shift Values>> N :: 121.6(4.72) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.25 R 0.14 G 0.07 C Shift Assignments>> C :: 175.928 CA :: 54.342 CB :: 43.175 CG :: 27.803 CD1 :: 24.098 CD2 :: 25.157 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 :: 8.279 HA :: 4.783 HB2 :: 1.440 HB3 :: 1.641 HG :: 1.447 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 124.368 Ave N Shift Values>> N :: 121.98(4.07) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 C 0.32 L 0.11 A 0.01 R 0.01 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 174.674 CA :: 53.742 CB :: 46.136 CG :: 27.218 CD1 :: 24.247 CD2 :: 27.506 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 :: 8.480 HA :: 4.989 HB2 :: 1.763 HB3 :: 1.859 HG :: 1.622 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 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 :: 124.129 Ave N Shift Values>> N :: 121.98(4.07) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 177.837 CA :: 56.474 CB :: 65.446 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.596 HA :: 5.179 HB2 :: 3.704 HB3 :: 3.977 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 :: 116.016 Ave N Shift Values>> N :: 116.3(3.95) 1.T32 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 :: 174.066 CA :: 65.584 CB :: 68.755 CG2 :: 23.270 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 :: 8.863 HA :: 3.832 HB :: 4.448 HG21 :: 1.240 HG22 :: 1.240 HG23 :: 1.240 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.296 Ave N Shift Values>> N :: 115.7(5.05) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.526 CA :: 61.207 CB :: 68.918 CG2 :: 21.715 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 :: 7.537 HA :: 4.559 HB :: 4.409 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 105.825 Ave N Shift Values>> N :: 115.7(5.05) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.19 K 0.15 D 0.13 C 0.1 F 0.06 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.937 CA :: 55.330 CB :: 42.599 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 :: 7.169 HA :: 4.738 HB2 :: 2.763 HB3 :: 2.512 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 :: 124.202 Ave N Shift Values>> N :: 120.73(4.2) 1.T35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 176.572 CA :: 60.872 CB :: 70.276 CG2 :: 22.914 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.266 HA :: 4.932 HB :: 5.491(S) HG21 :: 1.268 HG22 :: 1.268 HG23 :: 1.268 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 :: 111.812 Ave N Shift Values>> N :: 115.7(5.05) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.29 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 178.069 CA :: 55.772 CB :: 18.705 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.557 HA :: 3.760 HB1 :: 1.542 HB2 :: 1.542 HB3 :: 1.542 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.505 Ave N Shift Values>> N :: 123.23(3.7) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.19 D 0.08 I 0.07 L 0.06 N 0.03 E 0.02 K 0.01 C Shift Assignments>> C :: 179.188 CA :: 57.254 CB :: 39.451 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 :: 8.609 HA :: 4.281 HB2 :: 2.731 HB3 :: 2.604 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.384 Ave N Shift Values>> N :: 120.73(4.2) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 176.682 CA :: 61.119 CB :: 39.227 CD1 :: 131.352 CD2 :: 131.352 CE1 :: 131.623 CE2 :: 131.623 CZ :: 130.110 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 :: 7.720 HA :: 4.290 HB2 :: 3.274 HB3 :: 3.349 HD1 :: 7.041 HD2 :: 7.041 HE1 :: 7.283 HE2 :: 7.283 HZ :: 7.234 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 :: 125.090 Ave N Shift Values>> N :: 120.69(4.18) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.550 CA :: 54.959 CB :: 17.975 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.319 HA :: 3.654 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.803 Ave N Shift Values>> N :: 123.23(3.7) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 176.547 CA :: 67.471 CB :: 31.783 CG1 :: 23.302 CG2 :: 24.364 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.109 HA :: 3.195 HB :: 2.204 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.422 Ave N Shift Values>> N :: 121.02(4.96) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.19 I 0.09 C 0.03 C Shift Assignments>> C :: 180.623 CA :: 56.142 CB :: 17.709 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.305 HA :: 3.802 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.984 Ave N Shift Values>> N :: 123.23(3.7) 1.E42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.09 M 0.08 K 0.07 Q 0.05 C Shift Assignments>> C :: 179.224 CA :: 58.384 CB :: 30.262 CG :: 36.019 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 :: 8.232 HA :: 3.837 HB2 :: 1.557 HB3 :: 1.693 HG2 :: 1.583(S) HG3 :: 1.655 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.369 Ave N Shift Values>> N :: 120.68(3.68) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.952 CA :: 63.531 CB :: 63.412 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.161 HA :: 3.807 HB2 :: 3.636 HB3 :: 4.025 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 :: 116.337 Ave N Shift Values>> N :: 116.3(3.95) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 L 0.42 R 0.02 C Shift Assignments>> C :: 179.260 CA :: 58.507 CB :: 40.808 CG :: 26.480 CD1 :: 26.436 CD2 :: 22.193 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 :: 8.569 HA :: 3.590 HB2 :: 1.634 HB3 :: 1.040 HG :: 1.463 HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 HD21 :: -0.167(S) HD22 :: -0.167(S) HD23 :: -0.167(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 :: 122.236 Ave N Shift Values>> N :: 121.98(4.07) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.29 E 0.25 K 0.07 Q 0.03 C Shift Assignments>> C :: 180.513 CA :: 60.430 CB :: 28.862 CG :: 36.009 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 :: 7.272 HA :: 3.791 HB2 :: 2.150 HB3 :: 2.055 HG2 :: 2.318 HG3 :: 2.059 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.799 Ave N Shift Values>> N :: 120.68(3.68) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.32 K 0.31 G 0.01 M 0.01 C Shift Assignments>> C :: 178.567 CA :: 57.642 CB :: 31.372 CG :: 24.833 CD :: 27.794 CE :: 42.435 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 :: 7.881 HA :: 3.973 HB2 :: 1.417 HB3 :: 1.771 HG2 :: 1.648 HG3 :: 1.397 HD2 :: 1.548 HD3 :: 1.624 HE2 :: 2.979 HE3 :: 3.107 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.073 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 175.197 CA :: 60.924 CB :: 38.240 CD1 :: 132.370 CD2 :: 132.370 CE1 :: 117.700 CE2 :: 117.700 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 :: 7.839 HA :: 4.110 HB2 :: 3.174 HB3 :: 2.490 HD1 :: 7.043 HD2 :: 7.043 HE1 :: 6.472 HE2 :: 6.472 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 :: 115.296 Ave N Shift Values>> N :: 120.79(4.69) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 L 0.04 C Shift Assignments>> C :: 175.319 CA :: 46.929 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.762 HA2 :: 3.988 HA3 :: 4.062 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.346 Ave N Shift Values>> N :: 109.91(4.29) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 A 0.11 R 0.01 C Shift Assignments>> C :: 177.520 CA :: 53.053 CB :: 41.513 CG :: 26.215 CD1 :: 22.774 CD2 :: 25.714 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 :: 8.279 HA :: 4.727 HB2 :: 1.315 HB3 :: 1.417 HG :: 1.291 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.560 HD22 :: 0.560 HD23 :: 0.560 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.914 Ave N Shift Values>> N :: 121.98(4.07) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.27 K 0.14 I 0.13 Q 0.09 M 0.01 R 0.01 HN Overlap>> 1.C86 1.C86 C Shift Assignments>> C :: 176.742 CA :: 58.965 CB :: 28.598 CG :: 35.526 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 :: 8.853 HA :: 3.950 HB2 :: 2.000 HB3 :: 2.096 HG2 :: 2.097 HG3 :: 2.338 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 :: 119.463 Ave N Shift Values>> N :: 120.68(3.68) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 177.508 CA :: 56.283 CB :: 31.509 CG :: 25.157 CD :: 28.812 CE :: 42.270 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 :: 8.544 HA :: 4.331 HB2 :: 1.751 HB3 :: 1.929 HG2 :: 1.460 HG3 :: 1.363 HD2 :: 1.598 HD3 :: 1.674 HE2 :: 2.969 HE3 :: 2.969 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 :: 118.688 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.35 M 0.08 I 0.04 K 0.02 C Shift Assignments>> C :: 175.161 CA :: 55.119 CB :: 30.590 CG :: 37.598 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 :: 7.476 HA :: 4.144 HB2 :: 1.953 HB3 :: 2.239 HG2 :: 2.109 HG3 :: 2.229 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 :: 118.437 Ave N Shift Values>> N :: 120.68(3.68) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.19 D 0.16 Y 0.02 F 0.02 L 0.02 C Shift Assignments>> C :: 175.177 CA :: 50.159 CB :: 38.980 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.215 HA :: 4.894 HB2 :: 2.809 HB3 :: 3.221 HD21 :: 6.911 HD22 :: 7.690 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 :: 121.698 ND2 :: 112.404 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P54 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 :: 177.863 CA :: 65.097 CB :: 32.482 CG :: 27.539 CD :: 51.109 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 :: 4.083 HB2 :: 2.067 HB3 :: 2.170 HG2 :: 1.913 HG3 :: 2.084 HD2 :: 3.919 HD3 :: 4.185 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.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.27 M 0.01 C Shift Assignments>> C :: 177.995 CA :: 57.818 CB :: 31.536 CG :: 25.080 CD :: 28.781 CE :: 42.106 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 :: 7.749 HA :: 4.201 HB2 :: 1.697 HB3 :: 1.852 HG2 :: 1.448 HG3 :: 1.546 HD2 :: 1.695 HD3 :: 1.135 HE2 :: 2.992 HE3 :: 2.992 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 :: 113.943 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.18 K 0.14 C 0.11 F 0.11 Y 0.09 N 0.06 R 0.03 C Shift Assignments>> C :: 175.051 CA :: 55.154 CB :: 41.077 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 :: 8.074 HA :: 4.635 HB2 :: 2.946 HB3 :: 2.512 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 :: 117.647 Ave N Shift Values>> N :: 120.73(4.2) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.37 G 0.07 C Shift Assignments>> C :: 172.655 CA :: 57.553 CB :: 42.892 CD1 :: 133.253 CD2 :: 133.253 CE1 :: 117.810 CE2 :: 117.810 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 :: 8.115 HA :: 5.046 HB2 :: 2.706 HB3 :: 2.889 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.737 HE2 :: 6.737 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 :: 120.317 Ave N Shift Values>> N :: 120.79(4.69) 1.C58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 K 0.13 R 0.13 H 0.12 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 171.159 CA :: 55.718 CB :: 31.774 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.328 HA :: 4.932 HB2 :: 2.812 HB3 :: 3.002 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 :: 113.511 Ave N Shift Values>> N :: 119.95(4.79) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.44 A 0.03 C Shift Assignments>> C :: 174.029 CA :: 58.366 CB :: 39.720 CG1 :: 28.452 CG2 :: 19.327 CD1 :: 12.003 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 :: 9.546 HA :: 5.156 HB :: 1.656 HG12 :: 1.249 HG13 :: 1.411 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 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 :: 119.071 Ave N Shift Values>> N :: 121.6(4.72) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 C 0.16 L 0.1 G 0.08 M 0.06 C Shift Assignments>> C :: 176.462 CA :: 49.224 CB :: 22.037 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.451 HA :: 5.178 HB1 :: 1.056 HB2 :: 1.056 HB3 :: 1.056 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.432 Ave N Shift Values>> N :: 123.23(3.7) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.32 R 0.17 C Shift Assignments>> C :: 173.957 CA :: 53.300 CB :: 32.153 CG :: 27.054 CD :: 44.784 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 :: 9.122 HA :: 4.863 HB2 :: 1.257 HB3 :: 1.383 HG2 :: 1.542 HG3 :: 1.542 HD2 :: 2.756 HD3 :: 2.840 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 :: 119.868 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.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.248 CA :: 61.207 CB :: 33.387 CG1 :: 21.186 CG2 :: 20.657 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.115 HA :: 4.453 HB :: 1.783 HG11 :: 0.667 HG12 :: 0.667 HG13 :: 0.667 HG21 :: 0.682 HG22 :: 0.682 HG23 :: 0.682 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 :: 126.620 Ave N Shift Values>> N :: 121.02(4.96) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.32 A 0.18 C Shift Assignments>> C :: 175.440 CA :: 54.324 CB :: 32.441 CG :: 32.318 CE :: 16.497 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 :: 8.531 HA :: 4.841 HB2 :: 1.990 HB3 :: 2.093 HG2 :: 2.242 HG3 :: 1.818 HE1 :: 1.865 HE2 :: 1.865 HE3 :: 1.865 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 :: 125.713 Ave N Shift Values>> N :: 120.1(3.88) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.18 R 0.04 G 0.04 A 0.02 C Shift Assignments>> C :: 174.321 CA :: 51.995 CB :: 42.352 CG :: 27.009 CD1 :: 23.833 CD2 :: 25.421 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 :: 8.968 HA :: 4.693 HB2 :: 1.350 HB3 :: 1.624 HG :: 1.425 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.610 HD22 :: 0.610 HD23 :: 0.610 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 :: 126.766 Ave N Shift Values>> N :: 121.98(4.07) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> CA :: 61.416 CB :: 30.715 CG :: 27.274 CD :: 50.307 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 :: 4.604 HB2 :: 2.276 HB3 :: 1.826 HG2 :: 1.965 HG3 :: 1.965 HD2 :: 3.470 HD3 :: 3.670 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.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.863 CA :: 63.889 CB :: 31.509 CG :: 27.803 CD :: 50.166 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 :: 4.259 HB2 :: 1.856 HB3 :: 2.226 HG2 :: 1.841 HG3 :: 2.081 HD2 :: 3.569 HD3 :: 3.779 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.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.029 CA :: 45.394 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.606 HA2 :: 3.688 HA3 :: 4.087 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.508 Ave N Shift Values>> N :: 109.91(4.29) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.18 C 0.04 L 0.03 C Shift Assignments>> C :: 177.472 CA :: 52.383 CB :: 20.283 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.788 HA :: 4.338 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.113 Ave N Shift Values>> N :: 123.23(3.7) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 M 0.19 K 0.17 E 0.1 R 0.02 C Shift Assignments>> C :: 176.086 CA :: 55.256 CB :: 30.344 CG :: 33.716 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.654 HA :: 4.334 HB2 :: 1.816 HB3 :: 2.045 HG2 :: 2.259 HG3 :: 2.315 HE21 :: 6.808 HE22 :: 7.476 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.585 NE2 :: 112.824 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.34 C 0.3 C Shift Assignments>> C :: 174.893 CA :: 56.901 CB :: 30.837 CD2 :: 120.182 CE1 :: 138.184 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 :: 8.249 HA :: 4.373 HB2 :: 2.865 HB3 :: 3.012 HD2 :: 6.960 HE1 :: 7.759 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 :: 118.737 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.932 CA :: 58.631 CB :: 63.408 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.835 HA :: 4.131 HB2 :: 3.540 HB3 :: 3.813 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.804 Ave N Shift Values>> N :: 116.3(3.95) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 K 0.11 C 0.11 N 0.11 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.098 CA :: 54.166 CB :: 41.077 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 :: 8.164 HA :: 4.544 HB2 :: 2.718 HB3 :: 2.718 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.964 Ave N Shift Values>> N :: 120.73(4.2) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.08 K 0.07 I 0.07 Q 0.03 C Shift Assignments>> C :: 176.912 CA :: 57.024 CB :: 30.186 CG :: 36.513 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 :: 8.121 HA :: 4.133 HB2 :: 1.910 HB3 :: 2.016 HG2 :: 2.149 HG3 :: 2.228 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 :: 120.857 Ave N Shift Values>> N :: 120.68(3.68) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.08 K 0.07 L 0.01 C Shift Assignments>> C :: 177.058 CA :: 57.077 CB :: 30.262 CG :: 27.009 CD :: 43.421 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 :: 8.311 HA :: 4.139 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.588 HG3 :: 1.638 HD2 :: 3.180 HD3 :: 3.125 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 :: 121.482 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.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.863 CA :: 45.236 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.516 HA2 :: 3.909 HA3 :: 3.833 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.926 Ave N Shift Values>> N :: 109.91(4.29) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.18 C 0.04 L 0.03 C Shift Assignments>> C :: 177.205 CA :: 52.295 CB :: 20.309 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.729 HA :: 4.407 HB1 :: 1.246 HB2 :: 1.246 HB3 :: 1.246 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.766 Ave N Shift Values>> N :: 123.23(3.7) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 174.419 CA :: 55.506 CB :: 34.210 CG :: 24.892 CD :: 28.862 CE :: 42.270 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 :: 4.455 HB2 :: 1.743 HB3 :: 1.788 HG2 :: 1.427 HG3 :: 1.370 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.969 HE3 :: 2.969 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 :: 121.671 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.26 E 0.19 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 175.575 CA :: 54.554 CB :: 32.811 CG :: 36.513 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 :: 8.497 HA :: 5.103 HB2 :: 1.748 HB3 :: 1.748 HG2 :: 1.837 HG3 :: 1.918 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 :: 124.104 Ave N Shift Values>> N :: 120.68(3.68) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.35 C Shift Assignments>> C :: 174.991 CA :: 60.183 CB :: 41.694 CG1 :: 27.461 CG2 :: 17.513 CD1 :: 13.236 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 :: 8.761 HA :: 4.321 HB :: 1.549 HG12 :: 1.077 HG13 :: 1.354 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 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 :: 125.413 Ave N Shift Values>> N :: 121.6(4.72) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 177.022 CA :: 61.860 CB :: 37.747 CG1 :: 28.599 CG2 :: 17.760 CD1 :: 12.547 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 :: 8.824 HA :: 4.063 HB :: 1.736 HG12 :: 1.565 HG13 :: 1.133 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 128.583 Ave N Shift Values>> N :: 121.6(4.72) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.27 R 0.12 K 0.06 C Shift Assignments>> C :: 178.093 CA :: 56.089 CB :: 40.625 CG :: 29.127 CD1 :: 25.949 CD2 :: 25.421 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 :: 9.134 HA :: 4.327 HB2 :: 1.561 HB3 :: 1.819 HG :: 1.804 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 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 :: 130.608 Ave N Shift Values>> N :: 121.98(4.07) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.15 C 0.1 F 0.07 Y 0.06 R 0.06 N 0.06 C Shift Assignments>> C :: 177.082 CA :: 54.553 CB :: 41.568 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 :: 9.814 HA :: 4.647 HB2 :: 2.753 HB3 :: 2.896 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 :: 125.448 Ave N Shift Values>> N :: 120.73(4.2) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.17 K 0.17 C 0.14 L 0.11 D 0.07 I 0.05 R 0.04 C Shift Assignments>> C :: 175.514 CA :: 57.836 CB :: 41.036 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 :: 8.576 HA :: 4.270 HB2 :: 2.603 HB3 :: 2.781 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 :: 119.231 Ave N Shift Values>> N :: 120.73(4.2) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.22 L 0.13 C 0.11 F 0.07 Y 0.06 K 0.04 C Shift Assignments>> C :: 177.010 CA :: 53.283 CB :: 40.502 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 :: 8.118 HA :: 4.681 HB2 :: 2.662 HB3 :: 2.847 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 :: 110.496 Ave N Shift Values>> N :: 120.73(4.2) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 K 0.12 I 0.1 E 0.05 M 0.01 R 0.01 C Shift Assignments>> C :: 176.304 CA :: 57.607 CB :: 31.783 CG :: 39.695 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 :: 7.707 HA :: 4.381 HB2 :: 2.056 HB3 :: 2.159 HG2 :: 2.429 HG3 :: 2.244 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 :: 120.184 Ave N Shift Values>> N :: 120.68(3.68) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.09 L 0.03 M 0.03 I 0.02 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 175.193 CA :: 56.407 CB :: 28.946 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.904 HA :: 5.374 HB2 :: 2.845 HB3 :: 3.147 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.398 Ave N Shift Values>> N :: 119.95(4.79) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 176.520 CA :: 65.513 CB :: 32.039 CG :: 26.745 CD :: 50.166 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 :: 3.870 HB2 :: 1.203 HB3 :: 1.409 HG2 :: 1.379 HG3 :: 1.491 HD2 :: 4.045 HD3 :: 3.700 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.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.36 R 0.1 G 0.02 C Shift Assignments>> C :: 178.433 CA :: 57.395 CB :: 42.394 CG :: 26.396 CD1 :: 23.040 CD2 :: 26.161 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 :: 9.088 HA :: 4.144 HB2 :: 1.086 HB3 :: 1.474 HG :: 1.542 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 115.335 Ave N Shift Values>> N :: 121.98(4.07) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.26 Q 0.18 R 0.17 M 0.03 E 0.03 P 0.01 I 0.01 C Shift Assignments>> C :: 177.727 CA :: 58.931 CB :: 28.123 CG :: 32.739 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.763 HA :: 4.099 HB2 :: 2.287 HB3 :: 2.337 HG2 :: 2.393 HG3 :: 2.466 HE21 :: 7.765 HE22 :: 6.730 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 :: 117.985 NE2 :: 111.834 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.786 CA :: 64.860 CB :: 38.692 CG1 :: 28.862 CG2 :: 16.937 CD1 :: 15.098 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 :: 7.683 HA :: 3.792 HB :: 2.033 HG12 :: 1.844 HG13 :: 1.166 HG21 :: 1.014 HG22 :: 1.014 HG23 :: 1.014 HD11 :: 0.912 HD12 :: 0.912 HD13 :: 0.912 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 121.6(4.72) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 177.777 CA :: 61.789 CB :: 40.245 CD1 :: 131.704 CD2 :: 131.704 CE1 :: 131.867 CE2 :: 131.867 CZ :: 130.483 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.322 HA :: 4.245 HB2 :: 3.332 HB3 :: 3.380 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.537 HE2 :: 7.537 HZ :: 7.450 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 :: 118.278 Ave N Shift Values>> N :: 120.69(4.18) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.35 G 0.19 K 0.04 HN Overlap>> 1.I28 1.I28 C Shift Assignments>> C :: 178.457 CA :: 59.195 CB :: 30.186 CG :: 28.862 CD :: 43.997 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 :: 8.497 HA :: 3.962 HB2 :: 1.911 HB3 :: 2.032 HG2 :: 1.821 HG3 :: 2.093 HD2 :: 3.049 HD3 :: 3.219 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 :: 117.787 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.39 M 0.08 I 0.05 K 0.05 Q 0.01 C Shift Assignments>> C :: 176.074 CA :: 56.195 CB :: 30.221 CG :: 36.924 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 :: 7.837 HA :: 4.224 HB2 :: 2.010 HB3 :: 2.192 HG2 :: 2.282 HG3 :: 2.540 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.554 Ave N Shift Values>> N :: 120.68(3.68) 1.W94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.38 H 0.04 C Shift Assignments>> C :: 174.394 CA :: 55.065 CB :: 29.686 CD1 :: 127.731 CE3 :: 120.932 CZ2 :: 114.302 CZ3 :: 120.932 CH2 :: 123.694 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 :: 7.395 HA :: 4.821 HB2 :: 3.137 HB3 :: 3.330 HD1 :: 6.901 HE1 :: 9.459 HE3 :: 6.980 HZ2 :: 6.999 HZ3 :: 7.633 HH2 :: 7.004 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 :: 125.126 NE1 :: 128.745 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.P95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.204 CA :: 61.913 CB :: 31.578 CG :: 27.136 CD :: 50.742 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 :: 4.418 HB2 :: 2.022 HB3 :: 1.771 HG2 :: 1.480 HG3 :: 1.643 HD2 :: 2.251(S) HD3 :: 3.726 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.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.671 CA :: 60.836 CB :: 63.285 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.458 HA :: 4.257 HB2 :: 3.950 HB3 :: 3.950 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 :: 118.838 Ave N Shift Values>> N :: 116.3(3.95) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 N 0.18 C 0.14 F 0.12 Y 0.12 L 0.11 K 0.03 I 0.01 C Shift Assignments>> C :: 176.949 CA :: 54.642 CB :: 39.926 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 :: 8.430 HA :: 4.430 HB2 :: 2.541 HB3 :: 2.646 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 :: 118.110 Ave N Shift Values>> N :: 120.73(4.2) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.2 M 0.01 C Shift Assignments>> C :: 176.353 CA :: 56.195 CB :: 32.812 CG :: 25.421 CD :: 28.598 CE :: 41.941 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 :: 7.641 HA :: 4.223 HB2 :: 1.161 HB3 :: 1.645 HG2 :: 1.108 HG3 :: 1.108 HD2 :: 1.134 HD3 :: 1.134 HE2 :: 2.729 HE3 :: 2.729 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 :: 118.530 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.813 CA :: 44.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.647 HA2 :: 4.783 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.638 Ave N Shift Values>> N :: 109.91(4.29) 1.I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 173.798 CA :: 60.765 CB :: 40.049 CG1 :: 27.712 CG2 :: 17.513 CD1 :: 13.154 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 :: 8.469 HA :: 4.265 HB :: 1.702 HG12 :: 1.168 HG13 :: 1.489 HG21 :: 0.805 HG22 :: 0.805 HG23 :: 0.805 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 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 :: 122.111 Ave N Shift Values>> N :: 121.6(4.72) 1.L101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.66 C 0.19 G 0.09 R 0.03 C Shift Assignments>> C :: 175.708 CA :: 53.424 CB :: 43.144 CG :: 26.215 CD1 :: 24.542 CD2 :: 25.369 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 :: 7.915 HA :: 4.556 HB2 :: -0.044(S) HB3 :: 0.869 HG :: 0.492 HD11 :: -0.124(S) HD12 :: -0.124(S) HD13 :: -0.124(S) HD21 :: 0.059 HD22 :: 0.059 HD23 :: 0.059 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 :: 127.321 Ave N Shift Values>> N :: 121.98(4.07) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.43 C Shift Assignments>> C :: 173.834 CA :: 60.077 CB :: 35.361 CG1 :: 21.708 CG2 :: 20.430 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 :: 8.626 HA :: 4.316 HB :: 1.839 HG11 :: 0.646 HG12 :: 0.646 HG13 :: 0.646 HG21 :: 0.589 HG22 :: 0.589 HG23 :: 0.589 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 :: 123.708 Ave N Shift Values>> N :: 121.02(4.96) 1.F103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 175.344 CA :: 56.901 CB :: 41.242 CD1 :: 131.832 CD2 :: 131.832 CE1 :: 130.227 CE2 :: 130.227 CZ :: 128.703 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 :: 9.298 HA :: 5.457 HB2 :: 3.179 HB3 :: 2.696 HD1 :: 7.167 HD2 :: 7.167 HE1 :: 7.071 HE2 :: 7.071 HZ :: 7.191 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.425 Ave N Shift Values>> N :: 120.69(4.18) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.36 K 0.1 Q 0.05 R 0.04 C Shift Assignments>> C :: 174.723 CA :: 53.424 CB :: 31.125 CG :: 31.509 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 :: 9.141 HA :: 5.035 HB2 :: 1.497 HB3 :: 1.942 HG2 :: 2.011 HG3 :: 2.403 HE21 :: 6.674 HE22 :: 7.498 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.639 NE2 :: 110.331 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.23 R 0.11 G 0.11 A 0.01 C Shift Assignments>> C :: 175.501 CA :: 54.342 CB :: 43.463 CG :: 27.301 CD1 :: 23.764 CD2 :: 25.573 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 :: 9.234 HA :: 4.966 HB2 :: 1.721 HB3 :: 1.135 HG :: 1.298 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.401 HD22 :: 0.401 HD23 :: 0.401 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 :: 125.663 Ave N Shift Values>> N :: 121.98(4.07) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.31 R 0.05 M 0.03 A 0.01 C Shift Assignments>> C :: 175.494 CA :: 54.571 CB :: 36.225 CG :: 23.833 CD :: 29.357 CE :: 41.201 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 :: 9.070 HA :: 4.692 HB2 :: 1.497 HB3 :: 1.736 HG2 :: 1.166 HG3 :: 1.166 HD2 :: 1.333 HD3 :: 1.395 HE2 :: 2.695 HE3 :: 2.695 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 :: 124.328 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.23 G 0.01 L 0.01 C Shift Assignments>> C :: 176.535 CA :: 56.195 CB :: 30.138 CG :: 27.803 CD :: 42.435 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 :: 8.692 HA :: 3.855 HB2 :: 1.383 HB3 :: 1.554 HG2 :: 1.369 HG3 :: 1.263 HD2 :: 2.770 HD3 :: 2.870 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 :: 121.396 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.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.33 K 0.15 G 0.06 C Shift Assignments>> C :: 174.200 CA :: 55.171 CB :: 30.042 CG :: 28.598 CD :: 43.157 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 :: 8.344 HA :: 4.317 HB2 :: 1.279 HB3 :: 1.579 HG2 :: 1.199 HG3 :: 1.533 HD2 :: 3.126 HD3 :: 3.314 HE :: 6.508 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 :: 126.195 NE :: 84.699 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.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 C 0.01 C Shift Assignments>> CA :: 63.275 CD :: 50.534 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 :: 4.447 HB2 :: 1.954 HB3 :: 2.277 HD2 :: 3.771 HD3 :: 3.541 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.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 62.722 CB :: 32.039 CD :: 50.040 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 :: 4.393 HB2 :: 1.888 HB3 :: 2.254 HD2 :: 3.742 HD3 :: 3.564 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.S111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 103 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 13 Shift Relative Order (SRO) Results: #Consistent: 116 #Suspicious: 0 C Shift Results: #Consistent: 470 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 730 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 100 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R13 HD2 = 1.642(S), Expected = 3.13, Std = 0.2300, ChiSquare = 9.8285e-11 1.K26 HG2 = -0.011(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.5793e-07 1.T35 HB = 5.491(S), Expected = 4.17, Std = 0.3700, ChiSquare = 3.5661e-04 1.E42 HG2 = 1.583(S), Expected = 2.31, Std = 0.2100, ChiSquare = 5.3637e-04 1.L44 HD21 = -0.167(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.3058e-04 1.L44 HD22 = -0.167(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.3058e-04 1.L44 HD23 = -0.167(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.3058e-04 1.P95 HD2 = 2.251(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.1416e-04 1.L101 HB2 = -0.044(S), Expected = 1.63, Std = 0.3400, ChiSquare = 8.4997e-07 1.L101 HD11 = -0.124(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2926e-04 1.L101 HD12 = -0.124(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2926e-04 1.L101 HD13 = -0.124(S), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2926e-04