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.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.363 CB :: 63.806 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.108 HB2 :: 3.987 HB3 :: 3.987 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.58 C 0.29 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.501 CA :: 55.533 CB :: 42.553 CG :: 27.114 CD1 :: 24.885 CD2 :: 23.645 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>> HA :: 4.416 HB2 :: 1.666 HB3 :: 1.666 HG :: 1.685 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.932 HD22 :: 0.932 HD23 :: 0.932 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) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 C Shift Assignments>> C :: 178.249 CA :: 52.963 CB :: 19.143 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.465 HA :: 4.400 HB1 :: 1.445 HB2 :: 1.445 HB3 :: 1.445 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.792 Ave N Shift Values>> N :: 123.23(3.7) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.947 CA :: 61.772 CB :: 69.721 CG2 :: 21.711 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 :: 8.022 HA :: 4.363 HB :: 4.333 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 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 :: 112.012 Ave N Shift Values>> N :: 115.7(5.05) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.1 I 0.05 K 0.05 Q 0.02 C Shift Assignments>> C :: 176.915 CA :: 56.804 CB :: 30.524 CG :: 36.634 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 :: 8.315 HA :: 4.371 HB2 :: 2.104 HB3 :: 2.007 HG2 :: 2.316 HG3 :: 2.316 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.881 Ave N Shift Values>> N :: 120.68(3.68) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.989 CA :: 45.395 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.453 HA2 :: 4.027 HA3 :: 4.027 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.559 Ave N Shift Values>> N :: 109.91(4.29) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.23 C 0.14 Y 0.08 F 0.07 L 0.05 C Shift Assignments>> C :: 175.896 CA :: 53.366 CB :: 39.232 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 :: 8.406 HA :: 4.817 HB2 :: 2.943 HB3 :: 2.816 HD21 :: 7.781 HD22 :: 6.913 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.405 ND2 :: 113.463 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.13 L 0.05 C Shift Assignments>> C :: 173.365 CA :: 46.555 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.560 HA2 :: 3.826 HA3 :: 3.826 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.155 Ave N Shift Values>> N :: 109.91(4.29) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.39 R 0.13 M 0.01 G 0.01 C Shift Assignments>> C :: 175.707 CA :: 54.600 CB :: 35.682 CG :: 24.407 CD :: 28.980 CE :: 42.051 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 :: 7.806 HA :: 4.545 HB2 :: 1.835 HB3 :: 1.641 HG2 :: 1.329 HG3 :: 1.329 HD2 :: 1.648 HD3 :: 1.647 HE2 :: 3.015 HE3 :: 3.015 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 :: 118.317 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> 1.A64 1.A64 C Shift Assignments>> C :: 176.221 CA :: 62.206 CB :: 31.737 CG1 :: 21.446 CG2 :: 21.456 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 :: 8.464 HA :: 4.207 HB :: 1.790 HG11 :: 0.779 HG12 :: 0.779 HG13 :: 0.779 HG21 :: 0.652 HG22 :: 0.652 HG23 :: 0.652 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 :: 121.098 Ave N Shift Values>> N :: 121.02(4.96) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.303 CA :: 60.704 CB :: 40.499 CG1 :: 27.498 CG2 :: 17.351 CD1 :: 13.459 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 :: 8.777 HA :: 4.359 HB :: 1.994 HG12 :: 1.627 HG13 :: 1.171 HG21 :: 1.127 HG22 :: 1.127 HG23 :: 1.127 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 :: 128.755 Ave N Shift Values>> N :: 121.6(4.72) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.33 C 0.32 HN Overlap>> 1.D77 1.D77 1.Y35 1.Y35 C Shift Assignments>> C :: 175.616 CA :: 57.141 CB :: 31.029 CD2 :: 120.985 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 :: 9.043 HA :: 5.055 HB2 :: 3.186 HB3 :: 3.186 HD2 :: 7.161 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 :: 128.017 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.37 L 0.13 A 0.02 C Shift Assignments>> C :: 176.792 CA :: 54.153 CB :: 46.421 CG :: 26.150 CD1 :: 23.753 CD2 :: 27.092 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 :: 8.446 HA :: 5.086 HB2 :: 1.711 HB3 :: 1.530 HG :: 1.545 HD11 :: 0.607 HD12 :: 0.607 HD13 :: 0.607 HD21 :: 0.136 HD22 :: 0.136 HD23 :: 0.136 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 :: 121.472 Ave N Shift Values>> N :: 121.98(4.07) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.35 C Shift Assignments>> C :: 176.535 CA :: 59.479 CB :: 72.461 CG2 :: 21.831 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 :: 7.749 HA :: 4.753 HB :: 4.673 HG21 :: 1.417 HG22 :: 1.417 HG23 :: 1.417 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 :: 110.537 Ave N Shift Values>> N :: 115.7(5.05) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.31 R 0.2 G 0.02 C Shift Assignments>> C :: 177.338 CA :: 61.920 CB :: 31.587 CG :: 25.800 CD :: 29.437 CE :: 42.045 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 :: 8.285 HA :: 3.961 HB2 :: 2.402 HB3 :: 1.978 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 1.839 HD3 :: 1.839 HE2 :: 2.893 HE3 :: 2.893 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 :: 121.194 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.28 I 0.05 C 0.03 V 0.01 C Shift Assignments>> C :: 181.468 CA :: 55.697 CB :: 18.309 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.842 HA :: 4.009 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.579 Ave N Shift Values>> N :: 123.23(3.7) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.33 M 0.1 I 0.09 C Shift Assignments>> C :: 178.079 CA :: 58.523 CB :: 31.751 CG :: 37.104 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 :: 7.381 HA :: 4.198 HB2 :: 2.207 HB3 :: 2.029 HG2 :: 2.264 HG3 :: 2.360 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 :: 116.399 Ave N Shift Values>> N :: 120.68(3.68) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 F 0.46 C Shift Assignments>> C :: 178.315 CA :: 61.831 CB :: 40.570 CD1 :: 133.518 CD2 :: 133.518 CE1 :: 130.809 CE2 :: 130.809 CZ :: 131.191 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 :: 9.030 HA :: 3.714 HB2 :: 3.707 HB3 :: 2.871 HD1 :: 7.237 HD2 :: 7.237 HE1 :: 7.617 HE2 :: 7.617 HZ :: 7.373 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 :: 122.740 Ave N Shift Values>> N :: 120.69(4.18) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.34 R 0.05 HN Overlap>> 1.E106 1.E106 C Shift Assignments>> C :: 177.190 CA :: 57.399 CB :: 41.860 CG :: 26.325 CD1 :: 25.911 CD2 :: 23.034 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 :: 8.519 HA :: 4.133 HB2 :: 1.853 HB3 :: 1.167 HG :: 1.969 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.352 HD22 :: 0.352 HD23 :: 0.352 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 :: 118.763 Ave N Shift Values>> N :: 121.98(4.07) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.28 C 0.04 L 0.02 C Shift Assignments>> C :: 179.530 CA :: 53.527 CB :: 19.910 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.807 HA :: 4.162 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 :: 114.733 Ave N Shift Values>> N :: 123.23(3.7) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.22 M 0.01 C Shift Assignments>> C :: 176.734 CA :: 56.608 CB :: 34.422 CG :: 25.426 CD :: 29.255 CE :: 42.006 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 :: 8.139 HA :: 4.222 HB2 :: 1.741 HB3 :: 1.455 HG2 :: 1.484 HG3 :: 1.484 HD2 :: 1.756 HD3 :: 1.756 HE2 :: 3.009 HE3 :: 3.009 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 :: 112.597 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.82 C 0.16 C Shift Assignments>> C :: 173.216 CA :: 63.891 CB :: 32.028 CG1 :: 23.202 CG2 :: 21.737 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 :: 8.087 HA :: 4.245 HB :: 0.547(S) HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 0.135 HG22 :: 0.135 HG23 :: 0.135 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 :: 118.201 Ave N Shift Values>> N :: 121.02(4.96) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 172.835 CA :: 55.520 CB :: 41.034 CD1 :: 132.675 CD2 :: 132.675 CE1 :: 118.911 CE2 :: 118.911 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 :: 7.094 HA :: 5.042 HB2 :: 2.889 HB3 :: 2.656 HD1 :: 7.359 HD2 :: 7.359 HE1 :: 7.176 HE2 :: 7.176 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.252 Ave N Shift Values>> N :: 120.79(4.69) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 N 0.35 M 0.07 P 0.06 E 0.02 Y 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 174.669 CA :: 50.710 CB :: 36.000 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 :: 9.854 HA :: 4.662 HB2 :: 3.074 HB3 :: 2.872 HD21 :: 7.116 HD22 :: 7.666 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 :: 127.668 ND2 :: 112.940 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 F 0.25 C Shift Assignments>> C :: 175.512 CA :: 56.705 CB :: 36.901 CD1 :: 132.648 CD2 :: 132.648 CE1 :: 132.672 CE2 :: 132.672 CZ :: 128.978 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 :: 6.369 HA :: 3.675 HB2 :: 3.277 HB3 :: 2.526 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 7.352 HE2 :: 7.352 HZ :: 7.108 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 :: 119.426 Ave N Shift Values>> N :: 120.69(4.18) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.22 K 0.05 M 0.01 C Shift Assignments>> C :: 177.872 CA :: 58.388 CB :: 29.105 CG :: 37.120 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.871 HA :: 4.126 HB2 :: 1.859 HB3 :: 1.858 HG2 :: 2.018 HG3 :: 1.849 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 :: 120.303 Ave N Shift Values>> N :: 120.68(3.68) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.18 M 0.01 C Shift Assignments>> C :: 176.281 CA :: 57.136 CB :: 34.302 CG :: 25.088 CD :: 29.119 CE :: 42.028 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 :: 7.139 HA :: 4.132 HB2 :: 1.581 HB3 :: 1.581 HG2 :: 1.423 HG3 :: 1.373 HD2 :: 1.635 HD3 :: 1.635 HE2 :: 2.973 HE3 :: 2.973 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 :: 118.675 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.29 C 0.13 L 0.06 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> CA :: 51.493 CB :: 40.031 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.847 HA :: 5.452 HB2 :: 2.890 HB3 :: 3.250 HD21 :: 7.677 HD22 :: 7.296 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 113.786 ND2 :: 116.224 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P30 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 :: 178.135 CA :: 65.264 CB :: 32.362 CG :: 27.339 CD :: 50.765 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 :: 4.570 HB2 :: 2.538 HB3 :: 2.057 HG2 :: 2.086 HG3 :: 1.985 HD2 :: 3.743 HD3 :: 3.225 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.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.08 M 0.07 K 0.07 Q 0.03 C Shift Assignments>> C :: 176.233 CA :: 57.637 CB :: 30.208 CG :: 36.393 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 :: 8.769 HA :: 4.328 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.275 HG3 :: 2.280 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 :: 116.254 Ave N Shift Values>> N :: 120.68(3.68) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.3 E 0.19 Q 0.02 C Shift Assignments>> C :: 173.967 CA :: 54.988 CB :: 32.818 CG :: 35.885 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 :: 7.301 HA :: 4.607 HB2 :: 1.989 HB3 :: 1.985 HG2 :: 2.249 HG3 :: 2.249 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 :: 117.597 Ave N Shift Values>> N :: 120.68(3.68) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.43 H 0.01 C Shift Assignments>> C :: 175.487 CA :: 58.327 CB :: 29.152 CD1 :: 127.235 CE3 :: 121.357 CZ2 :: 113.239 CZ3 :: 121.807 CH2 :: 122.724 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 :: 8.515 HA :: 3.693 HB2 :: 2.961 HB3 :: 3.250 HD1 :: 7.052 HE1 :: 10.222 HE3 :: 7.033 HZ2 :: 7.285 HZ3 :: 7.092 HH2 :: 6.989 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.347 NE1 :: 128.581 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.43 C 0.39 R 0.13 M 0.01 C Shift Assignments>> C :: 174.002 CA :: 55.717 CB :: 34.330 CG :: 24.741 CD :: 28.928 CE :: 41.873 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>> HA :: 4.185 HB2 :: 1.748 HB3 :: 1.748 HG2 :: 1.313 HG3 :: 1.178 HD2 :: 1.612 HD3 :: 1.612 HE2 :: 2.960 HE3 :: 2.960 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) 1.Y35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 HN Overlap>> 1.H13 1.H13 C Shift Assignments>> C :: 177.754 CA :: 55.506 CB :: 39.085 CD1 :: 130.923 CD2 :: 130.923 CE1 :: 118.291 CE2 :: 118.291 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 :: 8.937 HA :: 5.036 HB2 :: 3.345 HB3 :: 3.132 HD1 :: 7.106 HD2 :: 7.106 HE1 :: 6.902 HE2 :: 6.902 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 :: 127.992 Ave N Shift Values>> N :: 120.79(4.69) 1.E36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.24 Q 0.24 M 0.2 K 0.17 E 0.09 R 0.02 C Shift Assignments>> C :: 177.162 CA :: 55.756 CB :: 30.465 CG :: 33.526 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 :: 8.396 HA :: 4.111 HB2 :: 0.770(S) HB3 :: 2.101 HG2 :: 2.125 HG3 :: 2.125 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 :: 126.715 Ave N Shift Values>> N :: 120.68(3.68) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 171.854 CA :: 45.527 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.339 HA3 :: 4.140 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.24 K 0.13 C 0.1 R 0.08 N 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 175.592 CA :: 53.601 CB :: 41.935 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 :: 8.433 HA :: 4.739 HB2 :: 2.887 HB3 :: 2.623 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 :: 114.588 Ave N Shift Values>> N :: 120.73(4.2) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.38 R 0.07 M 0.04 A 0.02 C Shift Assignments>> C :: 172.297 CA :: 54.152 CB :: 33.489 CG :: 23.599 CD :: 28.944 CE :: 41.441 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 :: 7.787 HA :: 4.998 HB2 :: 1.952 HB3 :: 1.653 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 1.427 HD3 :: 1.363 HE2 :: 2.931 HE3 :: 2.931 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 :: 119.409 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 173.640 CA :: 63.759 CB :: 34.202 CG :: 28.056 CD :: 50.337 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 :: 4.518 HB2 :: 2.622 HB3 :: 1.887 HG2 :: 2.097 HG3 :: 2.095 HD2 :: 4.154 HD3 :: 3.972 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.A41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.64 L 0.13 C 0.12 K 0.03 R 0.02 C Shift Assignments>> C :: 176.036 CA :: 50.148 CB :: 25.045(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.621 HA :: 6.020(S) HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.286 Ave N Shift Values>> N :: 123.23(3.7) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.46 G 0.02 C Shift Assignments>> C :: 175.411 CA :: 59.671 CB :: 42.294 CG1 :: 28.218 CG2 :: 17.077 CD1 :: 13.737 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 :: 8.224 HA :: 4.965 HB :: 1.423 HG12 :: 1.580 HG13 :: 0.842 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 118.154 Ave N Shift Values>> N :: 121.6(4.72) 1.V43 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 :: 173.775 CA :: 60.882 CB :: 33.662 CG1 :: 21.316 CG2 :: 22.346 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 :: 9.236 HA :: 4.645 HB :: 2.098 HG11 :: 1.005 HG12 :: 1.005 HG13 :: 1.005 HG21 :: 0.245 HG22 :: 0.245 HG23 :: 0.245 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 :: 124.214 Ave N Shift Values>> N :: 121.02(4.96) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.05 K 0.02 C Shift Assignments>> C :: 174.519 CA :: 52.385 CB :: 40.183 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 :: 9.005 HA :: 5.026 HB2 :: 2.924 HB3 :: 2.247 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 :: 126.112 Ave N Shift Values>> N :: 120.73(4.2) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> C :: 173.849 CA :: 58.088 CB :: 38.407 CD1 :: 132.586 CD2 :: 132.586 CE1 :: 129.871 CE2 :: 129.871 CZ :: 128.627 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 :: 9.329 HA :: 5.322 HB2 :: 3.491 HB3 :: 2.636 HD1 :: 7.096 HD2 :: 7.096 HE1 :: 6.827 HE2 :: 6.827 HZ :: 6.462 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 :: 127.228 Ave N Shift Values>> N :: 120.69(4.18) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.33 Y 0.25 C Shift Assignments>> C :: 172.898 CA :: 55.291 CB :: 44.016 CD1 :: 133.671 CD2 :: 133.671 CE1 :: 117.849 CE2 :: 117.849 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 :: 8.960 HA :: 5.334 HB2 :: 3.044 HB3 :: 2.915 HD1 :: 6.849 HD2 :: 6.849 HE1 :: 6.735 HE2 :: 6.735 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 :: 121.652 Ave N Shift Values>> N :: 120.79(4.69) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.22 M 0.14 C 0.13 K 0.05 C Shift Assignments>> C :: 178.623 CA :: 52.534 CB :: 22.539 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.433 HA :: 4.266 HB1 :: 0.841 HB2 :: 0.841 HB3 :: 0.841 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.600 Ave N Shift Values>> N :: 123.23(3.7) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.16 L 0.15 Y 0.12 C 0.12 D 0.08 R 0.07 I 0.02 C Shift Assignments>> C :: 176.512 CA :: 57.258 CB :: 41.475 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 :: 9.816 HA :: 4.463 HB2 :: 2.769 HB3 :: 2.769 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.237 Ave N Shift Values>> N :: 120.73(4.2) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 W 0.44 H 0.11 C Shift Assignments>> C :: 176.251 CA :: 55.371 CB :: 29.221 CD1 :: 128.284 CE3 :: 121.405 CZ2 :: 115.183 CZ3 :: 121.632 CH2 :: 125.139 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 :: 6.935 HA :: 4.534 HB2 :: 3.668 HB3 :: 3.242 HD1 :: 7.476 HE1 :: 10.653 HE3 :: 7.508 HZ2 :: 7.492 HZ3 :: 7.265 HH2 :: 7.317 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 :: 112.276 NE1 :: 132.245 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.18 I 0.15 C 0.14 Q 0.09 W 0.09 K 0.09 L 0.08 H 0.06 E 0.06 C Shift Assignments>> C :: 175.871 CA :: 58.889 CB :: 27.234 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.551 HA :: 4.318 HB2 :: 2.369 HB3 :: 1.181(S) 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 :: 122.745 Ave N Shift Values>> N :: 119.95(4.79) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 A 0.12 N 0.06 C 0.06 D 0.02 G 0.01 C Shift Assignments>> CA :: 49.153 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.327 HA3 :: 3.959 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.P52 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 178.960 CA :: 65.841 CB :: 32.556 CG :: 28.015 CD :: 51.285 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 :: 4.462 HB2 :: 2.514 HB3 :: 1.864 HG2 :: 2.303 HG3 :: 2.114 HD2 :: 4.664(A) HD3 :: 3.727 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.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.41 C 0.07 V 0.03 W 0.02 C Shift Assignments>> C :: 177.753 CA :: 63.844 CB :: 28.115 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.807 HA :: 4.134 HB2 :: 3.610 HB3 :: 3.165 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 :: 114.833 Ave N Shift Values>> N :: 119.95(4.79) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.23 M 0.01 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 178.868 CA :: 58.878 CB :: 31.968 CG :: 25.438 CD :: 28.923 CE :: 42.091 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 :: 8.095 HA :: 4.128 HB2 :: 2.152 HB3 :: 1.958 HG2 :: 1.605 HG3 :: 1.559 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 3.056 HE3 :: 3.056 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 :: 121.146 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.48 A 0.02 C Shift Assignments>> C :: 178.340 CA :: 57.701 CB :: 32.619 CG :: 32.081 CE :: 17.028 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.603 HA :: 4.338 HB2 :: 2.281 HB3 :: 2.282 HG2 :: 2.731 HG3 :: 2.610 HE1 :: 2.106 HE2 :: 2.106 HE3 :: 2.106 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 :: 116.356 Ave N Shift Values>> N :: 120.1(3.88) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.894 CA :: 63.852 CB :: 32.924 CG1 :: 22.407 CG2 :: 21.964 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 :: 7.259 HA :: 4.129 HB :: 2.284 HG11 :: 1.255 HG12 :: 1.255 HG13 :: 1.255 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 113.931 Ave N Shift Values>> N :: 121.02(4.96) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 I 0.2 C 0.02 A 0.01 C Shift Assignments>> C :: 176.198 CA :: 57.612 CB :: 15.474 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.360 HA :: 3.910 HB1 :: 1.460 HB2 :: 1.460 HB3 :: 1.460 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.783 Ave N Shift Values>> N :: 123.23(3.7) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 179.622 CA :: 65.590 CB :: 30.863 CG :: 28.090 CD :: 50.668 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 :: 4.524 HB2 :: 1.978 HB3 :: 2.354 HG2 :: 2.088 HG3 :: 2.088 HD2 :: 3.859 HD3 :: 3.655 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.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.339 CA :: 64.736 CB :: 37.895 CG1 :: 28.898 CG2 :: 17.610 CD1 :: 14.324 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 :: 6.672 HA :: 3.690 HB :: 1.987 HG12 :: 1.853 HG13 :: 1.161 HG21 :: 0.650 HG22 :: 0.650 HG23 :: 0.650 HD11 :: 1.153 HD12 :: 1.153 HD13 :: 1.153 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 :: 118.402 Ave N Shift Values>> N :: 121.6(4.72) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.37 A 0.01 R 0.01 HN Overlap>> 1.D61 1.D61 C Shift Assignments>> C :: 178.295 CA :: 57.838 CB :: 40.302 CG :: 26.374 CD1 :: 26.678 CD2 :: 22.042 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 :: 7.600 HA :: 3.676 HB2 :: 1.885 HB3 :: 1.172 HG :: 1.434 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 HD21 :: 0.337 HD22 :: 0.337 HD23 :: 0.337 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 :: 118.114 Ave N Shift Values>> N :: 121.98(4.07) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.16 L 0.08 K 0.08 I 0.07 D 0.06 R 0.01 N 0.01 HN Overlap>> 1.L60 1.L60 C Shift Assignments>> C :: 179.489 CA :: 57.931 CB :: 40.415 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 :: 7.547 HA :: 4.295 HB2 :: 2.627 HB3 :: 2.795 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 :: 118.023 Ave N Shift Values>> N :: 120.73(4.2) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.33 I 0.23 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 180.064 CA :: 59.597 CB :: 29.553 CG :: 36.547 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 :: 7.612 HA :: 4.066 HB2 :: 2.249 HB3 :: 2.057 HG2 :: 2.597 HG3 :: 2.597 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 :: 119.833 Ave N Shift Values>> N :: 120.68(3.68) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.28 R 0.28 G 0.01 K 0.01 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 178.355 CA :: 57.673 CB :: 42.260 CG :: 26.426 CD1 :: 27.811 CD2 :: 23.045 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.529 HA :: 4.190 HB2 :: 1.754 HB3 :: 1.144 HG :: 1.895 HD11 :: 0.493 HD12 :: 0.493 HD13 :: 0.493 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 120.352 Ave N Shift Values>> N :: 121.98(4.07) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.45 C 0.02 I 0.02 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 179.628 CA :: 54.477 CB :: 17.906 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.531 HA :: 3.872 HB1 :: 1.209 HB2 :: 1.209 HB3 :: 1.209 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.016 Ave N Shift Values>> N :: 123.23(3.7) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 179.432 CA :: 58.605 CB :: 32.817 CG :: 25.092 CD :: 29.102 CE :: 42.040 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.901 HA :: 4.197 HB2 :: 1.994 HB3 :: 1.994 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 1.762 HD3 :: 1.762 HE2 :: 3.029 HE3 :: 3.029 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 :: 114.900 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.13 K 0.08 Q 0.05 M 0.05 C Shift Assignments>> C :: 178.164 CA :: 59.397 CB :: 30.047 CG :: 35.801 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 :: 8.277 HA :: 3.872 HB2 :: 2.038 HB3 :: 1.821 HG2 :: 2.229 HG3 :: 1.763 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.309 Ave N Shift Values>> N :: 120.68(3.68) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 174.905 CA :: 58.025 CB :: 38.071 CD1 :: 132.670 CD2 :: 132.670 CE1 :: 119.289 CE2 :: 119.289 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 :: 8.294 HA :: 4.592 HB2 :: 3.397 HB3 :: 2.602 HD1 :: 7.120 HD2 :: 7.120 HE1 :: 6.691 HE2 :: 6.691 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 :: 113.292 Ave N Shift Values>> N :: 120.79(4.69) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.13 C 0.11 R 0.11 Y 0.1 D 0.08 I 0.01 C Shift Assignments>> C :: 177.624 CA :: 57.028 CB :: 41.831 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 :: 6.914 HA :: 4.533 HB2 :: 3.180 HB3 :: 2.663 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 120.73(4.2) 1.G69 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 :: 174.056 CA :: 45.778 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.241 HA2 :: 3.719 HA3 :: 4.436 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.298 Ave N Shift Values>> N :: 109.91(4.29) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.29 E 0.19 Q 0.1 K 0.01 C Shift Assignments>> C :: 175.976 CA :: 57.384 CB :: 32.435 CG :: 34.800 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 :: 8.614 HA :: 4.609 HB2 :: 2.371 HB3 :: 2.371 HG2 :: 2.280 HG3 :: 2.280 HE21 :: 7.789 HE22 :: 6.826 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 :: 117.726 NE2 :: 111.797 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.41 A 0.04 G 0.01 C Shift Assignments>> C :: 174.295 CA :: 58.174 CB :: 41.734 CG1 :: 25.155 CG2 :: 17.706 CD1 :: 14.060 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 :: 7.646 HA :: 5.066 HB :: 1.702 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 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 :: 108.904 Ave N Shift Values>> N :: 121.6(4.72) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 172.659 CA :: 59.974 CB :: 34.712 CG1 :: 20.733 CG2 :: 20.744 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 :: 8.600 HA :: 4.461 HB :: 1.625 HG11 :: 0.694 HG12 :: 0.694 HG13 :: 0.694 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 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 :: 121.601 Ave N Shift Values>> N :: 121.02(4.96) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 173.409 CA :: 60.549 CB :: 38.471 CG1 :: 27.110 CG2 :: 18.484 CD1 :: 13.723 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 :: 8.688 HA :: 4.638 HB :: 1.613 HG12 :: 0.722 HG13 :: 1.469 HG21 :: 0.710 HG22 :: 0.710 HG23 :: 0.710 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 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 :: 124.261 Ave N Shift Values>> N :: 121.6(4.72) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 C 0.34 G 0.2 C Shift Assignments>> C :: 175.771 CA :: 55.025 CB :: 43.439 CD1 :: 133.019 CD2 :: 133.019 CE1 :: 117.636 CE2 :: 117.636 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 :: 9.249 HA :: 6.111 HB2 :: 2.939 HB3 :: 2.750 HD1 :: 6.982 HD2 :: 6.982 HE1 :: 6.589 HE2 :: 6.589 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.644 Ave N Shift Values>> N :: 120.79(4.69) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.39 R 0.1 M 0.01 HN Overlap>> 1.D122 1.D122 C Shift Assignments>> C :: 174.180 CA :: 54.422 CB :: 35.836 CG :: 24.734 CD :: 29.255 CE :: 41.344 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 :: 8.747 HA :: 5.242 HB2 :: 1.617 HB3 :: 1.298 HG2 :: 1.178 HG3 :: 1.178 HD2 :: 1.241 HD3 :: 1.084 HE2 :: 2.321 HE3 :: 2.321 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 :: 118.423 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 172.952 CA :: 61.069 CB :: 35.648 CG1 :: 21.978 CG2 :: 21.160 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 :: 8.943 HA :: 4.329 HB :: 1.387 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: 0.548 HG22 :: 0.548 HG23 :: 0.548 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 :: 120.918 Ave N Shift Values>> N :: 121.02(4.96) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.05 K 0.01 HN Overlap>> 1.H13 1.H13 C Shift Assignments>> C :: 177.640 CA :: 52.326 CB :: 40.159 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 :: 9.037 HA :: 3.711 HB2 :: 2.971 HB3 :: 2.734 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 :: 128.051 Ave N Shift Values>> N :: 120.73(4.2) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.434 CA :: 64.986 CB :: 68.437 CG2 :: 23.875 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.129 HA :: 3.687 HB :: 4.206 HG21 :: 1.411 HG22 :: 1.411 HG23 :: 1.411 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 :: 118.512 Ave N Shift Values>> N :: 115.7(5.05) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.16 M 0.04 K 0.03 C Shift Assignments>> C :: 178.113 CA :: 58.013 CB :: 30.084 CG :: 37.289 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 :: 8.254 HA :: 4.342 HB2 :: 2.261 HB3 :: 2.263 HG2 :: 2.604 HG3 :: 2.358 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 :: 119.534 Ave N Shift Values>> N :: 120.68(3.68) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.14 C Shift Assignments>> C :: 177.890 CA :: 56.954 CB :: 34.733 CG :: 25.448 CD :: 28.818 CE :: 41.462 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 :: 7.041 HA :: 4.475 HB2 :: 2.085 HB3 :: 1.840 HG2 :: 1.598 HG3 :: 1.525 HD2 :: 1.828 HD3 :: 1.828 HE2 :: 3.139 HE3 :: 3.127 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 :: 117.784 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.22 K 0.15 E 0.06 R 0.05 M 0.01 P 0.01 C Shift Assignments>> C :: 176.791 CA :: 53.183 CB :: 27.014 CG :: 34.714 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 :: 8.439 HA :: 4.974 HB2 :: 2.149 HB3 :: 1.801 HG2 :: 2.582 HG3 :: 2.436 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 :: 120.690 Ave N Shift Values>> N :: 120.68(3.68) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.2 Q 0.2 E 0.14 I 0.06 R 0.04 M 0.01 P 0.01 C Shift Assignments>> C :: 180.035 CA :: 59.535 CB :: 28.480 CG :: 34.281 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 :: 7.851 HA :: 4.059 HB2 :: 2.118 HB3 :: 2.105 HG2 :: 2.502 HG3 :: 2.498 HE21 :: 7.642 HE22 :: 6.845 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.711 NE2 :: 111.889 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 I 0.31 E 0.29 K 0.03 M 0.01 C Shift Assignments>> C :: 179.735 CA :: 59.626 CB :: 29.240 CG :: 37.030 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 :: 8.694 HA :: 4.139 HB2 :: 2.124 HB3 :: 2.119 HG2 :: 2.451 HG3 :: 2.342 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 :: 120.076 Ave N Shift Values>> N :: 120.68(3.68) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.34 R 0.08 G 0.02 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 177.418 CA :: 57.972 CB :: 42.361 CG :: 27.355 CD1 :: 24.596 CD2 :: 24.575 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 :: 8.173 HA :: 4.010 HB2 :: 1.789 HB3 :: 1.717 HG :: 1.624 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 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 :: 121.131 Ave N Shift Values>> N :: 121.98(4.07) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.33 I 0.04 C 0.03 C Shift Assignments>> C :: 180.276 CA :: 55.254 CB :: 17.990 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.977 HA :: 3.873 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 :: 118.714 Ave N Shift Values>> N :: 123.23(3.7) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 177.225 CA :: 46.733 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.365 HA2 :: 3.886 HA3 :: 3.886 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.861 Ave N Shift Values>> N :: 109.91(4.29) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.4 I 0.02 C 0.02 C Shift Assignments>> C :: 178.467 CA :: 54.269 CB :: 17.097 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.819 HA :: 3.847 HB1 :: 0.671 HB2 :: 0.671 HB3 :: 0.671 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.109 Ave N Shift Values>> N :: 123.23(3.7) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 175.242 CA :: 57.954 CB :: 40.153 CD1 :: 131.975 CD2 :: 131.975 CE1 :: 131.316 CE2 :: 131.316 CZ :: 128.404 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 :: 7.098 HA :: 4.293 HB2 :: 3.084 HB3 :: 2.310 HD1 :: 7.368 HD2 :: 7.368 HE1 :: 7.408 HE2 :: 7.408 HZ :: 7.786 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 :: 113.009 Ave N Shift Values>> N :: 120.69(4.18) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.16 L 0.04 C Shift Assignments>> C :: 175.112 CA :: 46.888 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.671 HA2 :: 3.772 HA3 :: 3.772 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.183 Ave N Shift Values>> N :: 109.91(4.29) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.41 C Shift Assignments>> C :: 176.653 CA :: 60.870 CB :: 35.738 CG1 :: 27.391 CG2 :: 17.677 CD1 :: 10.061 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 :: 7.578 HA :: 3.726 HB :: 1.739 HG12 :: 1.239 HG13 :: 0.695 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.035 HD12 :: 0.035 HD13 :: 0.035 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 :: 117.787 Ave N Shift Values>> N :: 121.6(4.72) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.36 K 0.19 G 0.04 C Shift Assignments>> C :: 175.549 CA :: 55.784 CB :: 32.108 CG :: 26.972 CD :: 43.028 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 :: 8.859 HA :: 4.504 HB2 :: 1.972 HB3 :: 1.721 HG2 :: 1.621 HG3 :: 1.621 HD2 :: 3.183 HD3 :: 3.183 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 :: 128.212 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.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.045 CA :: 57.558 CB :: 64.572 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.788 HA :: 4.682 HB2 :: 3.715 HB3 :: 3.715 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.020 Ave N Shift Values>> N :: 116.3(3.95) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.3 A 0.09 C Shift Assignments>> C :: 173.402 CA :: 57.565 CB :: 40.745 CG1 :: 25.237 CG2 :: 19.064 CD1 :: 14.818 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 :: 8.235 HA :: 4.689 HB :: 1.749 HG12 :: 1.540 HG13 :: 1.202 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.589 HD12 :: 0.589 HD13 :: 0.589 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 :: 118.277 Ave N Shift Values>> N :: 121.6(4.72) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 P 0.22 A 0.01 C Shift Assignments>> C :: 177.384 CA :: 63.174 CB :: 34.810 CG :: 24.680 CD :: 51.036 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 :: 5.082 HB2 :: 1.998 HB3 :: 2.841 HG2 :: 1.885 HG3 :: 1.767 HD2 :: 3.620 HD3 :: 3.620 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.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 S 0.23 C Shift Assignments>> C :: 171.643 CA :: 60.035 CB :: 67.165 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.607 HA :: 5.342 HB2 :: 4.257 HB3 :: 3.875 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.870 Ave N Shift Values>> N :: 116.3(3.95) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.43 C Shift Assignments>> C :: 173.631 CA :: 59.185 CB :: 39.791 CG1 :: 27.556 CG2 :: 20.292 CD1 :: 13.270 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 :: 9.373 HA :: 5.149 HB :: 1.844 HG12 :: 1.508 HG13 :: 1.363 HG21 :: 0.353 HG22 :: 0.353 HG23 :: 0.353 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 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 :: 125.784 Ave N Shift Values>> N :: 121.6(4.72) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.29 L 0.23 A 0.03 C Shift Assignments>> C :: 175.266 CA :: 53.571 CB :: 46.344 CG :: 27.294 CD1 :: 26.340 CD2 :: 23.649 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 :: 9.412 HA :: 5.145 HB2 :: 1.985 HB3 :: 1.539 HG :: 1.483 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 129.182 Ave N Shift Values>> N :: 121.98(4.07) 1.F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 174.681 CA :: 57.907 CB :: 40.516 CD1 :: 132.005 CD2 :: 132.005 CE1 :: 131.922 CE2 :: 131.922 CZ :: 128.910 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 :: 9.544 HA :: 4.884 HB2 :: 3.343 HB3 :: 3.008 HD1 :: 7.200 HD2 :: 7.200 HE1 :: 7.342 HE2 :: 7.342 HZ :: 6.942 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 :: 125.352 Ave N Shift Values>> N :: 120.69(4.18) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.39 A 0.01 C Shift Assignments>> C :: 172.258 CA :: 58.761 CB :: 40.353 CG2 :: 17.342 CD1 :: 16.244 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 :: 9.527 HA :: 4.393 HB :: 1.702 HG21 :: 0.391 HG22 :: 0.391 HG23 :: 0.391 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 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 :: 125.043 Ave N Shift Values>> N :: 121.6(4.72) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 175.170 CA :: 61.350 CB :: 32.102 CG :: 25.558 CD :: 50.353 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 :: 4.548 HB2 :: 2.002 HB3 :: 1.432 HG2 :: 1.546 HG3 :: 1.445 HD2 :: 3.743 HD3 :: 3.344 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.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.45 A 0.02 C Shift Assignments>> C :: 177.420 CA :: 56.036 CB :: 30.256 CG :: 32.026 CE :: 15.114 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 :: 8.748 HA :: 4.591 HB2 :: 2.209 HB3 :: 2.044 HG2 :: 2.920 HG3 :: 2.394 HE1 :: 2.098 HE2 :: 2.098 HE3 :: 2.098 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 :: 114.638 Ave N Shift Values>> N :: 120.1(3.88) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.26 E 0.25 Q 0.01 C Shift Assignments>> C :: 175.408 CA :: 55.359 CB :: 32.472 CG :: 36.301 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 :: 7.654 HA :: 4.670 HB2 :: 2.028 HB3 :: 1.934 HG2 :: 2.241 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 :: 115.593 Ave N Shift Values>> N :: 120.68(3.68) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.865 CA :: 43.548 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.486 HA2 :: 3.866 HA3 :: 4.364 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.624 Ave N Shift Values>> N :: 109.91(4.29) 1.K104 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 C Shift Assignments>> C :: 174.526 CA :: 54.457 CB :: 32.137 CG :: 25.411 CD :: 29.245 CE :: 42.005 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 :: 8.113 HA :: 4.079 HB2 :: 1.727 HB3 :: 1.726 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.760 HD3 :: 1.754 HE2 :: 3.106 HE3 :: 3.106 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 :: 118.915 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.62 P 0.35 G 0.02 C Shift Assignments>> C :: 175.756 CA :: 62.253 CB :: 34.104 CG :: 25.887 CD :: 48.758 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 :: 4.829 HB2 :: 1.635 HB3 :: 1.513 HG2 :: 0.803 HG3 :: 0.125(S) HD2 :: 2.759 HD3 :: 1.932(S) 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.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 M 0.31 E 0.14 Q 0.02 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 174.435 CA :: 54.917 CB :: 33.370 CG :: 35.661 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 :: 4.595 HB2 :: 1.760 HB3 :: 1.471 HG2 :: 1.900 HG3 :: 1.827 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 :: 118.848 Ave N Shift Values>> N :: 120.68(3.68) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 M 0.32 C 0.27 C Shift Assignments>> C :: 175.214 CA :: 53.927 CB :: 35.404 CG :: 31.999 CE :: 17.978 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 :: 8.826 HA :: 5.485 HB2 :: 2.161 HB3 :: 1.815 HG2 :: 2.500 HG3 :: 2.290 HE1 :: 1.983 HE2 :: 1.983 HE3 :: 1.983 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 :: 125.320 Ave N Shift Values>> N :: 120.1(3.88) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.19 C 0.13 M 0.11 K 0.01 C Shift Assignments>> C :: 176.261 CA :: 50.774 CB :: 22.019 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.792 HA :: 4.809 HB1 :: 1.497 HB2 :: 1.497 HB3 :: 1.497 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.638 Ave N Shift Values>> N :: 123.23(3.7) 1.Q109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.27 Q 0.2 E 0.16 K 0.08 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 176.157 CA :: 55.349 CB :: 31.218 CG :: 34.377 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 :: 8.634 HA :: 4.967 HB2 :: 2.081 HB3 :: 1.969 HG2 :: 2.325 HG3 :: 2.320 HE21 :: 7.414 HE22 :: 6.837 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 :: 120.503 NE2 :: 111.635 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.23 C 0.09 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.111 CA :: 43.978 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.992 HA2 :: 3.645 HA3 :: 4.373 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.217 Ave N Shift Values>> N :: 109.91(4.29) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 176.465 CA :: 52.302 CB :: 19.051 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.321 HA :: 4.074 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.978 Ave N Shift Values>> N :: 123.23(3.7) 1.M112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.32 A 0.22 C Shift Assignments>> C :: 172.766 CA :: 53.397 CB :: 34.475 CG :: 31.347 CE :: 16.200 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 :: 6.803 HA :: 4.813 HB2 :: 1.821 HB3 :: 1.629 HG2 :: 2.013 HG3 :: 2.012 HE1 :: 1.448 HE2 :: 1.448 HE3 :: 1.448 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 :: 118.023 Ave N Shift Values>> N :: 120.1(3.88) 1.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 178.005 CA :: 61.897 CB :: 32.674 CG :: 27.626 CD :: 50.425 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 :: 4.758 HB2 :: 2.520 HB3 :: 2.173 HG2 :: 2.139 HG3 :: 2.035 HD2 :: 3.827 HD3 :: 3.659 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.K114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.27 R 0.25 G 0.02 C Shift Assignments>> C :: 178.461 CA :: 61.735 CB :: 32.453 CG :: 26.190 CD :: 29.829 CE :: 42.112 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 :: 9.500 HA :: 4.083 HB2 :: 2.024 HB3 :: 1.927 HG2 :: 1.590 HG3 :: 1.253 HD2 :: 1.821 HD3 :: 1.822 HE2 :: 2.949 HE3 :: 2.784 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 :: 123.780 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.31 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.970 CA :: 55.596 CB :: 18.535 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.161 HA :: 4.183 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.171 Ave N Shift Values>> N :: 123.23(3.7) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.422 CA :: 61.799 CB :: 62.700 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.425 HA :: 4.346 HB2 :: 3.946 HB3 :: 3.848 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 :: 113.825 Ave N Shift Values>> N :: 116.3(3.95) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.82 C 0.17 C Shift Assignments>> C :: 177.964 CA :: 63.258 CB :: 40.912 CD1 :: 131.900 CD2 :: 131.900 CE1 :: 130.917 CE2 :: 130.917 CZ :: 129.062 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 :: 7.803 HA :: 4.153 HB2 :: 3.390 HB3 :: 2.840 HD1 :: 7.208 HD2 :: 7.208 HE1 :: 7.109 HE2 :: 7.109 HZ :: 6.878 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 :: 121.889 Ave N Shift Values>> N :: 120.69(4.18) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 G 0.01 C Shift Assignments>> C :: 176.872 CA :: 60.524 CB :: 31.708 CG :: 25.844 CD :: 29.160 CE :: 41.998 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 :: 8.599 HA :: 3.870 HB2 :: 1.994 HB3 :: 1.817 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.806 HD3 :: 1.806 HE2 :: 3.073 HE3 :: 3.073 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 :: 117.411 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.13 M 0.02 G 0.01 C Shift Assignments>> C :: 177.816 CA :: 59.781 CB :: 32.808 CG :: 24.710 CD :: 29.468 CE :: 42.052 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 :: 7.544 HA :: 4.093 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.475 HG3 :: 1.295 HD2 :: 1.655 HD3 :: 1.658 HE2 :: 3.003 HE3 :: 3.003 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 :: 118.221 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 180.789 CA :: 54.774 CB :: 18.244 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.153 HA :: 4.010 HB1 :: 0.797 HB2 :: 0.797 HB3 :: 0.797 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.675 Ave N Shift Values>> N :: 123.23(3.7) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.07 C Shift Assignments>> C :: 176.996 CA :: 66.009 CB :: 38.643 CG1 :: 30.212 CG2 :: 17.780 CD1 :: 15.505 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 :: 8.620 HA :: 3.402 HB :: 1.680 HG12 :: 0.689 HG13 :: 1.987 HG21 :: 0.169 HG22 :: 0.169 HG23 :: 0.169 HD11 :: 0.464 HD12 :: 0.464 HD13 :: 0.464 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 :: 119.121 Ave N Shift Values>> N :: 121.6(4.72) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.16 K 0.09 L 0.08 I 0.07 D 0.06 R 0.01 HN Overlap>> 1.K75 1.K75 C Shift Assignments>> C :: 177.739 CA :: 58.060 CB :: 40.480 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 :: 8.770 HA :: 4.351 HB2 :: 2.795 HB3 :: 2.618 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 :: 118.370 Ave N Shift Values>> N :: 120.73(4.2) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 I 0.11 M 0.06 K 0.05 Q 0.01 C Shift Assignments>> C :: 177.431 CA :: 57.901 CB :: 30.244 CG :: 36.719 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 :: 8.422 HA :: 4.336 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.477 HG3 :: 2.173 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 :: 113.587 Ave N Shift Values>> N :: 120.68(3.68) 1.F124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 176.023 CA :: 59.189 CB :: 40.088 CD1 :: 131.268 CD2 :: 131.268 CE1 :: 131.280 CE2 :: 131.280 CZ :: 131.099 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 :: 7.840 HA :: 4.843 HB2 :: 3.451 HB3 :: 3.097 HD1 :: 7.017 HD2 :: 7.017 HE1 :: 7.343 HE2 :: 7.343 HZ :: 7.434 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 :: 118.520 Ave N Shift Values>> N :: 120.69(4.18) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.39 K 0.08 C Shift Assignments>> C :: 178.286 CA :: 57.767 CB :: 40.616 CD1 :: 26.349 CD2 :: 22.692 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 :: 8.065 HA :: 4.024 HB2 :: 2.570 HB3 :: 1.252 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 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 :: 115.628 Ave N Shift Values>> N :: 121.98(4.07) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.27 A 0.11 R 0.07 C Shift Assignments>> C :: 177.189 CA :: 54.281 CB :: 41.571 CG :: 26.946 CD1 :: 26.635 CD2 :: 22.335 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 :: 8.278 HA :: 4.550 HB2 :: 1.646 HB3 :: 2.073 HG :: 1.556 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 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 :: 114.734 Ave N Shift Values>> N :: 121.98(4.07) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 C 0.32 R 0.29 M 0.02 G 0.01 C Shift Assignments>> C :: 176.514 CA :: 56.489 CB :: 30.469 CG :: 24.445 CD :: 29.106 CE :: 42.254 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.786 HA :: 4.126 HB2 :: 1.919 HB3 :: 1.789 HG2 :: 1.334 HG3 :: 1.253 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 3.042 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.786 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K128 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 M 0.02 HN Overlap>> 1.Q109 1.L63 1.Q109 1.L63 C Shift Assignments>> C :: 177.018 CA :: 56.774 CB :: 32.870 CG :: 25.108 CD :: 29.207 CE :: 42.056 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 :: 8.552 HA :: 4.279 HB2 :: 1.827 HB3 :: 1.729 HG2 :: 1.490 HG3 :: 1.444 HD2 :: 1.698 HD3 :: 1.688 HE2 :: 3.013 HE3 :: 3.013 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 :: 120.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 177.055 CA :: 56.574 CB :: 30.502 CG :: 36.396 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 :: 8.437 HA :: 4.331 HB2 :: 2.097 HB3 :: 1.957 HG2 :: 2.297 HG3 :: 2.297 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.214 Ave N Shift Values>> N :: 120.68(3.68) 1.G130 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 :: 174.054 CA :: 45.356 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.492 HA2 :: 3.921 HA3 :: 3.921 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.823 Ave N Shift Values>> N :: 109.91(4.29) 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 130 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 129 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 136 #Suspicious: 0 C Shift Results: #Consistent: 601 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 933 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V23 HB = 0.547(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.2270e-05 1.E36 HB2 = 0.770(S), Expected = 2.04, Std = 0.2200, ChiSquare = 7.7999e-09 1.A41 CB = 25.045(S), Expected = 18.90, Std = 1.8500, ChiSquare = 8.9496e-04 1.A41 HA = 6.020(S), Expected = 4.26, Std = 0.4200, ChiSquare = 2.7837e-05 1.C50 HB3 = 1.181(S), Expected = 2.98, Std = 0.4500, ChiSquare = 6.3940e-05 1.P52 HD2 = 4.664(A), Expected = 3.64, Std = 0.3600, ChiSquare = 4.4489e-03 1.P105 HG3 = 0.125(S), Expected = 1.92, Std = 0.3700, ChiSquare = 1.2262e-06 1.P105 HD3 = 1.932(S), Expected = 3.63, Std = 0.4000, ChiSquare = 2.1859e-05