Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.13 C 0.11 K 0.11 M 0.05 I 0.01 C Shift Assignments>> C :: 175.138 CA :: 56.298 CB :: 29.739 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.4 K 0.07 G 0.05 C Shift Assignments>> C :: 177.037 CA :: 56.724 CB :: 30.881 CG :: 27.199 CD :: 43.282 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.649 HA :: 4.350 HB2 :: 1.846 HB3 :: 1.839 HG2 :: 1.648 HG3 :: 1.648 HD2 :: 3.226 HD3 :: 3.289 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.494 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.613 CA :: 59.412 CB :: 63.686 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.522 HA :: 4.384 HB2 :: 3.917 HB3 :: 3.917 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.535 Ave N Shift Values>> N :: 116.28(3.52) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 178.349 CA :: 53.067 CB :: 18.914 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.415 HA :: 4.465 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.336 Ave N Shift Values>> N :: 123.23(3.54) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.21 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 175.571 CA :: 53.247 CB :: 39.125 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.263 HA :: 4.950 HB2 :: 3.350 HB3 :: 2.870 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.438 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.19 R 0.18 G 0.01 C Shift Assignments>> C :: 178.567 CA :: 58.886 CB :: 42.260 CG :: 28.781 CD1 :: 25.354 CD2 :: 25.354 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.560 HA :: 3.621 HB2 :: 1.443 HB3 :: 1.821 HG :: 1.619 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.576 HD22 :: 0.576 HD23 :: 0.576 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.021 Ave N Shift Values>> N :: 121.86(3.9) 1.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.33 G 0.1 K 0.03 C Shift Assignments>> C :: 179.350 CA :: 60.347 CB :: 29.691 CG :: 28.154 CD :: 43.453 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.114 HA :: 4.134 HB2 :: 2.044 HB3 :: 2.035 HG2 :: 1.710 HG3 :: 1.914 HD2 :: 3.298 HD3 :: 3.301 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.977 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.47 C 0.01 I 0.01 C Shift Assignments>> C :: 180.957 CA :: 54.402 CB :: 17.869 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.871 HA :: 4.213 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.280 Ave N Shift Values>> N :: 123.23(3.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.24 I 0.04 C 0.02 C Shift Assignments>> C :: 178.578 CA :: 55.404 CB :: 17.260 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.930 HA :: 3.705 HB1 :: 0.718 HB2 :: 0.718 HB3 :: 0.718 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.111 Ave N Shift Values>> N :: 123.23(3.54) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 W 0.36 HN Overlap>> 1.K97 1.K97 C Shift Assignments>> C :: 176.304 CA :: 60.031 CB :: 31.370 CD2 :: 129.400 CE1 :: 132.500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.422 HA :: 3.776 HB2 :: 2.785 HB3 :: 3.281 HD2 :: 6.833 HE1 :: 6.955 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.502 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.05 C 0.02 C Shift Assignments>> C :: 180.644 CA :: 55.471 CB :: 17.802 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.980 HA :: 3.854 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.116 Ave N Shift Values>> N :: 123.23(3.54) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.12 C 0.06 L 0.06 V 0.01 C Shift Assignments>> C :: 180.122 CA :: 54.469 CB :: 20.140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.465 HA :: 4.176 HB1 :: 1.265 HB2 :: 1.265 HB3 :: 1.265 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.281 Ave N Shift Values>> N :: 123.23(3.54) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 L 0.33 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 178.766 CA :: 58.744 CB :: 40.711 CG :: 25.946 CD1 :: 25.061 CD2 :: 26.683 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.468 HA :: 3.807 HB2 :: 1.233 HB3 :: 2.151 HG :: 1.843 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 HD21 :: 0.587 HD22 :: 0.587 HD23 :: 0.587 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.262 Ave N Shift Values>> N :: 121.86(3.9) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 R 0.01 C Shift Assignments>> C :: 179.517 CA :: 58.009 CB :: 41.445 CG :: 26.805 CD1 :: 25.122 CD2 :: 23.261 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.029 HA :: 3.862 HB2 :: 1.327 HB3 :: 1.821 HG :: 1.280 HD11 :: 0.643 HD12 :: 0.643 HD13 :: 0.643 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.078 Ave N Shift Values>> N :: 121.86(3.9) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.29 I 0.16 K 0.09 Q 0.06 M 0.01 C Shift Assignments>> C :: 180.289 CA :: 59.879 CB :: 29.290 CG :: 35.753 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.895 HA :: 4.027 HB2 :: 2.000 HB3 :: 2.123 HG2 :: 2.254 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.499 Ave N Shift Values>> N :: 120.67(3.48) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.19 L 0.17 Y 0.16 C 0.09 N 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 177.368 CA :: 55.872 CB :: 40.444 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.373 HA :: 4.538 HB2 :: 2.319 HB3 :: 2.820 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.066 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.04 C 0.03 C Shift Assignments>> C :: 179.402 CA :: 55.471 CB :: 18.220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.886 HA :: 3.773 HB1 :: 1.538 HB2 :: 1.538 HB3 :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.274 Ave N Shift Values>> N :: 123.23(3.54) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.37 G 0.07 K 0.05 C Shift Assignments>> C :: 179.726 CA :: 59.812 CB :: 29.691 CG :: 28.134 CD :: 43.284 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.168 HA :: 4.197 HB2 :: 2.020 HB3 :: 2.066 HG2 :: 1.699 HG3 :: 1.889 HD2 :: 3.218 HD3 :: 3.218 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.945 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.35 C 0.25 C Shift Assignments>> C :: 177.410 CA :: 61.348 CB :: 37.906 CD1 :: 131.900 CE1 :: 130.500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.658 HA :: 4.367 HB2 :: 3.330 HB3 :: 3.499 HD1 :: 7.190 HE1 :: 7.346 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.222 Ave N Shift Values>> N :: 120.45(4.18) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.32 A 0.13 HN Overlap>> 1.F48 1.F48 C Shift Assignments>> C :: 179.371 CA :: 55.939 CB :: 29.424 CG :: 30.642 CE :: 16.880 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.358 HA :: 4.300 HB2 :: 1.448 HB3 :: 1.981 HG2 :: 2.450 HG3 :: 2.495 HE1 :: 1.873 HE2 :: 1.873 HE3 :: 1.873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.355 Ave N Shift Values>> N :: 120.09(3.57) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.17 K 0.07 Q 0.04 M 0.01 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 179.934 CA :: 60.053 CB :: 29.484 CG :: 35.900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.441 HA :: 4.338 HB2 :: 2.374 HB3 :: 2.261 HG2 :: 2.691 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.164 Ave N Shift Values>> N :: 120.67(3.48) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.25 K 0.22 R 0.07 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.307 CA :: 58.610 CB :: 28.088 CG :: 33.966 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.001 HA :: 4.132 HB2 :: 2.093 HB3 :: 2.261 HG2 :: 2.633 HG3 :: 2.442 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.309 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.27 F 0.19 C Shift Assignments>> C :: 177.717 CA :: 62.192 CB :: 39.343 CD2 :: 131.850 CE2 :: 131.850 CZ :: 131.850 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.760 HA :: 3.814 HB2 :: 2.411 HB3 :: 3.337 HD2 :: 7.336 HE2 :: 7.212 HZ :: 6.962 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.569 Ave N Shift Values>> N :: 120.45(4.18) 1.Y24 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 :: 179.079 CA :: 60.948 CB :: 38.707 CD1 :: 132.700 CD2 :: 133.000 CE1 :: 116.800 CE2 :: 116.800 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.956 HA :: 3.795 HB2 :: 2.869 HB3 :: 2.991 HD1 :: 6.031 HD2 :: 6.005 HE1 :: 6.432 HE2 :: 6.432 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.726 Ave N Shift Values>> N :: 120.52(4.2) 1.A25 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 :: 174.781 CA :: 54.870 CB :: 17.869 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.063 HA :: 4.048 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.142 Ave N Shift Values>> N :: 123.23(3.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 177.744 CA :: 57.408 CB :: 33.175 CG :: 24.826 CD :: 28.869 CE :: 42.013 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.172 HA :: 4.188 HB2 :: 1.705 HB3 :: 1.710 HG2 :: 1.443 HG3 :: 1.340 HD2 :: 1.604 HD3 :: 1.592 HE2 :: 2.911 HE3 :: 2.911 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.745 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.18 G 0.01 C Shift Assignments>> C :: 177.747 CA :: 55.805 CB :: 33.898 CG :: 24.035 CD :: 27.902 CE :: 42.366 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.154 HA :: 4.113 HB2 :: 1.205 HB3 :: 1.560 HG2 :: 1.046 HG3 :: 0.789 HD2 :: 1.413 HD3 :: 1.413 HE2 :: 2.880 HE3 :: 2.877 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.388 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.21 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.798 CA :: 44.651 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.945 HA2 :: 3.692 HA3 :: 2.841 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.017 Ave N Shift Values>> N :: 109.67(3.87) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.862 CA :: 56.673 CB :: 64.621 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.756 HA :: 4.136 HB2 :: 3.879 HB3 :: 3.242 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.165 Ave N Shift Values>> N :: 116.28(3.52) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.37 C 0.2 C Shift Assignments>> C :: 172.888 CA :: 59.260 CB :: 40.488 CD1 :: 131.800 CD2 :: 131.580 CE2 :: 131.487 CZ :: 131.487 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.403 HA :: 5.114 HB2 :: 3.084 HB3 :: 3.795 HD1 :: 7.546 HE1 :: 7.142 HE2 :: 7.216 HZ :: 7.306 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.132 Ave N Shift Values>> N :: 120.45(4.18) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.18 G 0.05 C Shift Assignments>> C :: 177.118 CA :: 56.272 CB :: 33.097 CG :: 26.233 CD :: 29.842 CE :: 43.258 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.536 HA :: 4.384 HB2 :: 1.354 HB3 :: 2.215 HG2 :: 1.269 HG3 :: 1.266 HD2 :: 1.504 HD3 :: 1.504 HE2 :: 2.738 HE3 :: 2.693 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.841 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.32 G 0.23 HN Overlap>> 1.W37 1.W37 C Shift Assignments>> C :: 177.535 CA :: 57.742 CB :: 44.251 CG :: 26.233 CD1 :: 23.772 CD2 :: 23.772 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.503 HA :: 4.450 HB2 :: 1.638 HB3 :: 1.055 HG :: 0.972 HD11 :: 1.172 HD12 :: 1.172 HD13 :: 1.172 HD21 :: 1.172 HD22 :: 1.172 HD23 :: 1.172 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.789 Ave N Shift Values>> N :: 121.86(3.9) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.39 C Shift Assignments>> C :: 173.947 CA :: 58.944 CB :: 71.818 CG2 :: 22.014 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.189 HA :: 4.619 HB :: 4.581 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.556 Ave N Shift Values>> N :: 115.42(4.75) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.904 CA :: 60.938 CB :: 63.218 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.590 HA :: 4.057 HB2 :: 3.926 HB3 :: 3.926 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.757 Ave N Shift Values>> N :: 116.28(3.52) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.928 CA :: 60.351 CB :: 69.910 CG2 :: 21.575 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.570 HA :: 4.453 HB :: 4.450 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 129.807 Ave N Shift Values>> N :: 115.42(4.75) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.26 R 0.14 G 0.01 C Shift Assignments>> C :: 174.907 CA :: 55.738 CB :: 37.042 CG :: 24.739 CD :: 29.133 CE :: 42.103 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.425 HA :: 4.712 HB2 :: 1.635 HB3 :: 1.813 HG2 :: 1.443 HG3 :: 1.462 HD2 :: 1.695 HD3 :: 1.699 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.614 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 173.384 CA :: 54.402 CB :: 29.891 CD1 :: 128.300 CZ2 :: 113.000 CZ3 :: 123.600 CH2 :: 124.500 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.590 HA :: 5.102 HB2 :: 3.362 HB3 :: 2.985 HD1 :: 7.266 HE1 :: 10.550 HE3 :: 7.537 HZ2 :: 7.339 HZ3 :: 7.117 HH2 :: 7.551 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.827 NE1 :: 129.000 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.990 CA :: 62.551 CB :: 32.095 CG :: 26.606 CD :: 51.165 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.447 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.489 HG3 :: 1.489 HD2 :: 3.946 HD3 :: 4.050 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.28 K 0.13 Q 0.12 M 0.05 I 0.02 C Shift Assignments>> C :: 175.699 CA :: 56.206 CB :: 29.582 CG :: 35.797 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.134 HA :: 3.965 HB2 :: 1.776 HB3 :: 1.902 HG2 :: 2.277 HG3 :: 2.179 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.080 Ave N Shift Values>> N :: 120.67(3.48) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 A 0.26 C 0.18 C Shift Assignments>> C :: 176.242 CA :: 51.731 CB :: 41.312 CG :: 26.022 CD1 :: 22.557 CD2 :: 22.557 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.363 HA :: 3.963 HB2 :: 1.312 HB3 :: 1.312 HG :: 0.630 HD11 :: 0.628 HD12 :: 0.628 HD13 :: 0.628 HD21 :: 0.615 HD22 :: 0.615 HD23 :: 0.615 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.972 Ave N Shift Values>> N :: 121.86(3.9) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 177.702 CA :: 63.820 CB :: 31.561 CG :: 26.956 CD :: 49.802 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.174 HB2 :: 1.813 HB3 :: 1.944 HG2 :: 1.932 HG3 :: 1.932 HD2 :: 3.410 HD3 :: 3.410 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.178 CA :: 62.016 CB :: 32.148 CG1 :: 20.041 CG2 :: 22.405 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.836 HA :: 4.235 HB :: 1.915 HG11 :: 0.761 HG12 :: 0.761 HG13 :: 0.761 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.474 Ave N Shift Values>> N :: 121.14(4.54) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.4 R 0.16 C Shift Assignments>> C :: 176.534 CA :: 57.141 CB :: 33.832 CG :: 25.556 CD :: 29.232 CE :: 42.012 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.638 HA :: 4.309 HB2 :: 1.608 HB3 :: 2.120 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 1.756 HD3 :: 1.754 HE2 :: 3.101 HE3 :: 3.101 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.385 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.28 E 0.16 Q 0.01 C Shift Assignments>> C :: 174.552 CA :: 55.271 CB :: 33.297 CG :: 36.234 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.473 HA :: 5.231 HB2 :: 1.954 HB3 :: 1.944 HG2 :: 2.216 HG3 :: 2.216 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.262 Ave N Shift Values>> N :: 120.67(3.48) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.15 C 0.13 A 0.05 C Shift Assignments>> C :: 177.890 CA :: 53.133 CB :: 23.613 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.902 HA :: 4.451 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.186 Ave N Shift Values>> N :: 123.23(3.54) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 C 0.09 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.759 CA :: 47.657 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.113 HA2 :: 4.103 HA3 :: 4.112 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.041 Ave N Shift Values>> N :: 109.67(3.87) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.156 CA :: 45.520 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.873 HA2 :: 4.183 HA3 :: 3.545 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.272 Ave N Shift Values>> N :: 109.67(3.87) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.34 C 0.21 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 175.574 CA :: 56.940 CB :: 41.379 CD1 :: 130.400 CE1 :: 132.500 CE2 :: 130.750 CZ :: 129.210 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.278 HA :: 5.157 HB2 :: 2.735 HB3 :: 3.145 HD1 :: 7.097 HE1 :: 6.984 HE2 :: 6.677 HZ :: 6.827 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.324 Ave N Shift Values>> N :: 120.45(4.18) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.32 R 0.15 C 0.05 D 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 173.092 CA :: 54.997 CB :: 44.496 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.911 HA :: 5.660 HB2 :: 3.219 HB3 :: 3.769 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.465 Ave N Shift Values>> N :: 120.17(4.64) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.47 C Shift Assignments>> C :: 175.366 CA :: 60.480 CB :: 40.699 CG1 :: 28.332 CG2 :: 18.743 CD1 :: 14.933 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.971 HA :: 5.311 HB :: 1.505 HG12 :: 1.324 HG13 :: 1.326 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.910 Ave N Shift Values>> N :: 121.46(4.28) 1.R51 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.73 K 0.21 G 0.03 R 0.01 C Shift Assignments>> C :: 174.948 CA :: 53.467 CB :: 36.410 CG :: 26.324 CD :: 41.975 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.927 HA :: 4.621 HB2 :: 1.194 HB3 :: 1.913 HG2 :: 1.487 HG3 :: 0.920 HD2 :: 1.739(S) HD3 :: 0.281(A) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.445 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) (HD3 > HB3 : 0.9958) (HD3 > HG2 : 0.9974) (HD3 > HG3 : 0.9982) 1.M52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.52 C 0.34 A 0.12 C Shift Assignments>> C :: 175.845 CA :: 55.204 CB :: 32.162 CG :: 32.152 CE :: 16.530 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.022 HA :: 4.574 HB2 :: 1.086 HB3 :: 1.613 HG2 :: 1.201(S) HG3 :: 1.201 HE1 :: 1.383 HE2 :: 1.383 HE3 :: 1.383 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.875 Ave N Shift Values>> N :: 120.09(3.57) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.866 CA :: 56.084 CB :: 63.977 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.559 HA :: 5.138 HB2 :: 3.317 HB3 :: 3.749 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.338 Ave N Shift Values>> N :: 116.28(3.52) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> C :: 172.257 CA :: 43.702 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.919 HA2 :: 3.886 HA3 :: 4.548 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.880 Ave N Shift Values>> N :: 109.67(3.87) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.09 R 0.04 M 0.02 C Shift Assignments>> C :: 177.222 CA :: 56.005 CB :: 28.842 CG :: 34.149 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.575 HA :: 4.391 HB2 :: 2.057 HB3 :: 2.269 HG2 :: 2.450 HG3 :: 2.452 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.745 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.79 A 0.14 I 0.03 C 0.01 C Shift Assignments>> C :: 178.704 CA :: 55.289 CB :: 15.932 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.576 HA :: 3.399 HB1 :: -0.154(S) HB2 :: -0.154(S) HB3 :: -0.154(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.305 Ave N Shift Values>> N :: 123.23(3.54) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 C Shift Assignments>> C :: 177.327 CA :: 58.076 CB :: 32.295 CG :: 24.150 CD :: 29.280 CE :: 42.014 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.272 HA :: 4.176 HB2 :: 1.663 HB3 :: 1.810 HG2 :: 1.306 HG3 :: 1.304 HD2 :: 1.576 HD3 :: 1.578 HE2 :: 2.895 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.337 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.759 CA :: 44.785 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.813 HA2 :: 4.185 HA3 :: 3.917 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.059 Ave N Shift Values>> N :: 109.67(3.87) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.4 A 0.01 C Shift Assignments>> C :: 176.033 CA :: 58.543 CB :: 37.972 CG1 :: 28.063 CG2 :: 18.150 CD1 :: 10.847 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.256 HA :: 4.456 HB :: 2.085 HG12 :: 1.711 HG13 :: 1.726 HG21 :: 1.378 HG22 :: 1.378 HG23 :: 1.378 HD11 :: 1.020 HD12 :: 1.020 HD13 :: 1.020 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.496 Ave N Shift Values>> N :: 121.46(4.28) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.29 R 0.04 A 0.02 G 0.02 C Shift Assignments>> C :: 178.203 CA :: 55.538 CB :: 42.536 CG :: 27.193 CD1 :: 24.846 CD2 :: 22.933 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.417 HA :: 4.253 HB2 :: 1.595 HB3 :: 1.690 HG :: 1.902 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 HD21 :: 0.954 HD22 :: 0.954 HD23 :: 0.954 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.858 Ave N Shift Values>> N :: 121.86(3.9) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.32 K 0.12 Q 0.07 I 0.07 M 0.02 HN Overlap>> 1.N110 1.N110 C Shift Assignments>> C :: 177.436 CA :: 57.258 CB :: 29.099 CG :: 36.149 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.590 HA :: 4.241 HB2 :: 2.335 HB3 :: 2.335 HG2 :: 2.496 HG3 :: 2.598 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.109 Ave N Shift Values>> N :: 120.67(3.48) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.551 CA :: 46.121 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.498 HA2 :: 4.502 HA3 :: 3.723 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.490 Ave N Shift Values>> N :: 109.67(3.87) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.09 G 0.01 C Shift Assignments>> C :: 175.637 CA :: 54.269 CB :: 35.702 CG :: 24.759 CD :: 28.671 CE :: 42.192 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.604 HA :: 4.796 HB2 :: 1.819 HB3 :: 1.817 HG2 :: 1.319 HG3 :: 1.217 HD2 :: 1.591 HD3 :: 1.606 HE2 :: 2.895 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.773 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 C 0.25 Y 0.24 C Shift Assignments>> C :: 172.591 CA :: 59.078 CB :: 40.377 CD2 :: 131.170 CE1 :: 129.330 CE2 :: 131.400 CZ :: 130.500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.439 HA :: 4.472 HB2 :: 2.659 HB3 :: 2.649 HD2 :: 6.684 HE1 :: 6.827 HE2 :: 6.941 HZ :: 7.112 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.518 Ave N Shift Values>> N :: 120.45(4.18) 1.T65 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 :: 172.508 CA :: 62.484 CB :: 71.367 CG2 :: 21.434 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.474 HA :: 4.602 HB :: 3.987 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.260 Ave N Shift Values>> N :: 115.42(4.75) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.4 L 0.02 C Shift Assignments>> CA :: 53.935 CB :: 46.855 CG :: 29.106 CD1 :: 26.324 CD2 :: 26.324 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.284 HA :: 4.508 HB2 :: 1.161 HB3 :: 1.881 HG :: 0.823 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.690 HD22 :: 0.690 HD23 :: 0.690 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.144 Ave N Shift Values>> N :: 121.86(3.9) 1.K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.95 R 0.03 C Shift Assignments>> C :: 171.972 CA :: 54.402 CB :: 38.592 CG :: 25.019 CD :: 31.086 CE :: 40.700 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.123 HA :: 5.388 HB2 :: 1.415 HB3 :: 1.801 HG2 :: 1.193 HG3 :: 0.900 HD2 :: 1.415 HD3 :: 1.230 HE2 :: 2.500 HE3 :: 2.110(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.603 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 G 0.07 C 0.06 L 0.04 C Shift Assignments>> C :: 175.324 CA :: 49.126 CB :: 21.476 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.178 HA :: 5.851(S) HB1 :: 0.982 HB2 :: 0.982 HB3 :: 0.982 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.927 Ave N Shift Values>> N :: 123.23(3.54) 1.V69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 173.425 CA :: 60.850 CB :: 35.768 CG1 :: 21.020 CG2 :: 22.044 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.727 HA :: 4.139 HB :: 1.539 HG11 :: 0.795 HG12 :: 0.795 HG13 :: 0.795 HG21 :: -0.193(S) HG22 :: -0.193(S) HG23 :: -0.193(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.425 Ave N Shift Values>> N :: 121.14(4.54) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.1 C 0.02 L 0.01 C Shift Assignments>> C :: 177.327 CA :: 53.200 CB :: 19.606 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.164 HA :: 3.658 HB1 :: 0.863 HB2 :: 0.863 HB3 :: 0.863 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.762 Ave N Shift Values>> N :: 123.23(3.54) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.38 R 0.09 C Shift Assignments>> C :: 178.036 CA :: 58.276 CB :: 41.846 CG :: 28.324 CD1 :: 25.367 CD2 :: 23.889 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.269 HA :: 3.794 HB2 :: 1.502 HB3 :: 1.413 HG :: 1.413 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 121.86(3.9) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.31 L 0.09 C 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.012 CA :: 51.731 CB :: 40.176 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.715 HA :: 4.796 HB2 :: 2.940 HB3 :: 2.352 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.777 Ave N Shift Values>> N :: 120.65(3.86) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.41 G 0.05 K 0.04 L 0.01 C Shift Assignments>> C :: 177.869 CA :: 57.408 CB :: 29.624 CG :: 27.532 CD :: 43.279 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.408 HA :: 4.083 HB2 :: 1.909 HB3 :: 1.650 HG2 :: 1.650 HG3 :: 1.652 HD2 :: 3.225 HD3 :: 3.223 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.846 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.13 K 0.08 Q 0.04 M 0.01 C Shift Assignments>> C :: 177.930 CA :: 58.324 CB :: 29.134 CG :: 36.345 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.888 HA :: 4.019 HB2 :: 2.039 HB3 :: 2.048 HG2 :: 2.169 HG3 :: 2.183 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.091 Ave N Shift Values>> N :: 120.67(3.48) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 C Shift Assignments>> C :: 178.142 CA :: 53.067 CB :: 19.272 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.175 HA :: 4.102 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.528 Ave N Shift Values>> N :: 123.23(3.54) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.14 M 0.11 C Shift Assignments>> C :: 171.047 CA :: 52.198 CB :: 30.693 CG :: 37.927 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.457 HA :: 4.762 HB2 :: 1.665 HB3 :: 1.739 HG2 :: 2.183 HG3 :: 2.198 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.377 Ave N Shift Values>> N :: 120.67(3.48) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 177.636 CA :: 62.591 CB :: 32.832 CG :: 26.539 CD :: 50.454 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.697 HB2 :: 2.123 HB3 :: 2.415 HG2 :: 2.080 HG3 :: 2.082 HD2 :: 3.843 HD3 :: 3.844 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.12 K 0.01 HN Overlap>> 1.F107 1.F107 C Shift Assignments>> C :: 176.870 CA :: 57.044 CB :: 31.176 CG :: 26.894 CD :: 43.904 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.554 HA :: 4.574 HB2 :: 1.472 HB3 :: 1.828 HG2 :: 1.807 HG3 :: 1.815 HD2 :: 2.837 HD3 :: 3.339 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.06 A 0.02 I 0.02 C Shift Assignments>> C :: 174.302 CA :: 58.543 CB :: 34.690 CG1 :: 23.793 CG2 :: 18.743 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.304 HA :: 5.027 HB :: 1.925 HG11 :: 0.897 HG12 :: 0.897 HG13 :: 0.897 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 111.376 Ave N Shift Values>> N :: 121.14(4.54) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 C 0.34 L 0.26 A 0.01 C Shift Assignments>> C :: 175.491 CA :: 52.866 CB :: 47.122 CG :: 26.982 CD1 :: 24.856 CD2 :: 24.856 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.095 HA :: 5.328 HB2 :: 0.973 HB3 :: 1.095 HG :: 1.028 HD11 :: 0.109 HD12 :: 0.109 HD13 :: 0.109 HD21 :: 0.112 HD22 :: 0.112 HD23 :: 0.112 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 121.86(3.9) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.35 R 0.06 K 0.03 C Shift Assignments>> C :: 174.928 CA :: 54.202 CB :: 35.635 CG :: 27.799 CD :: 43.880 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.851 HA :: 5.470 HB2 :: 1.529 HB3 :: 1.699 HG2 :: 1.326 HG3 :: 1.326 HD2 :: 3.415 HD3 :: 3.074 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.409 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 G 0.07 L 0.02 C Shift Assignments>> C :: 174.406 CA :: 55.004 CB :: 48.124 CG :: 28.065 CD1 :: 26.539 CD2 :: 26.451 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.798 HA :: 5.074 HB2 :: 1.340 HB3 :: 1.595 HG :: 0.806 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 HD21 :: 0.793 HD22 :: 0.793 HD23 :: 0.793 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.550 Ave N Shift Values>> N :: 121.86(3.9) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.34 L 0.11 C 0.06 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 176.576 CA :: 50.863 CB :: 40.577 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.376 HA :: 5.423 HB2 :: 3.367 HB3 :: 2.745 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.347 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.19 K 0.16 E 0.15 I 0.07 R 0.04 C Shift Assignments>> C :: 176.684 CA :: 58.540 CB :: 27.870 CG :: 34.867 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.586 HA :: 3.396 HB2 :: 1.661 HB3 :: 1.312 HG2 :: 2.793 HG3 :: 2.791 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.953 Ave N Shift Values>> N :: 120.67(3.48) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.051 CA :: 58.895 CB :: 63.886 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.385 HA :: 4.442 HB2 :: 3.961 HB3 :: 3.961 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.110 Ave N Shift Values>> N :: 116.28(3.52) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.28 A 0.04 C Shift Assignments>> C :: 175.825 CA :: 56.042 CB :: 37.705 CG :: 27.354 CD1 :: 25.133 CD2 :: 22.907 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.704 HA :: 3.697 HB2 :: 1.576 HB3 :: 2.217 HG :: 1.443 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.559 Ave N Shift Values>> N :: 121.86(3.9) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.425 CA :: 62.617 CB :: 69.096 CG2 :: 21.757 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.704 HA :: 4.254 HB :: 3.980 HG21 :: 1.060 HG22 :: 1.060 HG23 :: 1.060 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.529 Ave N Shift Values>> N :: 115.42(4.75) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.12 C 0.08 C Shift Assignments>> C :: 177.201 CA :: 50.262 CB :: 21.810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.002 HA :: 5.687 HB1 :: 1.472 HB2 :: 1.472 HB3 :: 1.472 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.459 Ave N Shift Values>> N :: 123.23(3.54) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.2 C Shift Assignments>> C :: 173.613 CA :: 59.679 CB :: 36.036 CG1 :: 19.806 CG2 :: 21.755 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.833 HA :: 4.904 HB :: 1.802 HG11 :: 0.806 HG12 :: 0.806 HG13 :: 0.806 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.872 Ave N Shift Values>> N :: 121.14(4.54) 1.V90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.11 A 0.04 C Shift Assignments>> C :: 174.552 CA :: 57.942 CB :: 34.900 CG1 :: 19.097 CG2 :: 21.844 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.286 HA :: 5.253 HB :: 1.765 HG11 :: 1.089 HG12 :: 1.089 HG13 :: 1.089 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.842 Ave N Shift Values>> N :: 121.14(4.54) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.13 C 0.06 C Shift Assignments>> C :: 174.135 CA :: 54.269 CB :: 46.455 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.452 HA :: 5.423 HB2 :: 2.755 HB3 :: 3.320 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.839 Ave N Shift Values>> N :: 120.17(4.64) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 172.639 CA :: 46.388 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.355 HA2 :: 3.980 HA3 :: 3.980 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.718 Ave N Shift Values>> N :: 109.67(3.87) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 174.051 CA :: 54.336 CB :: 35.528 CG :: 24.059 CD :: 29.020 CE :: 42.103 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.632 HA :: 4.744 HB2 :: 1.520 HB3 :: 1.680 HG2 :: 1.191 HG3 :: 1.191 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.895 HE3 :: 2.896 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.844 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.3 A 0.21 C Shift Assignments>> C :: 176.337 CA :: 54.803 CB :: 34.646 CG :: 31.412 CE :: 17.100 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.759 HA :: 5.017 HB2 :: 1.718 HB3 :: 2.029 HG2 :: 2.496 HG3 :: 2.495 HE1 :: 1.790 HE2 :: 1.790 HE3 :: 1.790 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.801 Ave N Shift Values>> N :: 120.09(3.57) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.38 R 0.16 C Shift Assignments>> C :: 177.222 CA :: 56.455 CB :: 32.429 CG :: 24.856 CD :: 28.577 CE :: 41.866 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.602 HA :: 4.376 HB2 :: 1.802 HB3 :: 1.802 HG2 :: 1.326 HG3 :: 1.326 HD2 :: 1.591 HD3 :: 1.593 HE2 :: 2.895 HE3 :: 2.880 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.252 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.613 CA :: 44.585 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.385 HA2 :: 4.112 HA3 :: 4.112 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.944 Ave N Shift Values>> N :: 109.67(3.87) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.12 HN Overlap>> 1.H10 1.H10 C Shift Assignments>> C :: 176.867 CA :: 55.872 CB :: 33.023 CG :: 24.767 CD :: 29.020 CE :: 42.132 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.436 HA :: 4.414 HB2 :: 1.774 HB3 :: 1.953 HG2 :: 1.472 HG3 :: 1.472 HD2 :: 1.665 HD3 :: 1.680 HE2 :: 3.000 HE3 :: 2.998 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.594 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.631 CA :: 45.920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.443 HA2 :: 4.244 HA3 :: 4.074 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.581 Ave N Shift Values>> N :: 109.67(3.87) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.680 CA :: 57.331 CB :: 66.178 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.535 HA :: 4.697 HB2 :: 3.905 HB3 :: 4.131 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.710 Ave N Shift Values>> N :: 116.28(3.52) 1.C100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 L 0.13 D 0.13 C 0.11 K 0.05 I 0.04 N 0.02 C Shift Assignments>> C :: 176.502 CA :: 57.136 CB :: 40.412 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.009 HA :: 4.612 HB2 :: 3.245 HB3 :: 3.075 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.835 Ave N Shift Values>> N :: 120.17(4.64) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.178 CA :: 61.014 CB :: 68.495 CG2 :: 21.401 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.030 HA :: 4.574 HB :: 4.631 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.957 Ave N Shift Values>> N :: 115.42(4.75) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 177.264 CA :: 55.004 CB :: 40.844 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.531 HA :: 4.320 HB2 :: 2.849 HB3 :: 3.273 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.763 Ave N Shift Values>> N :: 120.65(3.86) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.698 CA :: 45.653 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.591 HA2 :: 4.084 HA3 :: 3.697 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.602 Ave N Shift Values>> N :: 109.67(3.87) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 M 0.19 Q 0.07 K 0.03 C Shift Assignments>> C :: 176.472 CA :: 55.678 CB :: 30.884 CG :: 36.019 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.292 HA :: 4.452 HB2 :: 2.057 HB3 :: 2.198 HG2 :: 2.333 HG3 :: 2.319 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.191 Ave N Shift Values>> N :: 120.67(3.48) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 M 0.16 Q 0.02 I 0.01 K 0.01 HN Overlap>> 1.G54 1.G54 C Shift Assignments>> C :: 176.381 CA :: 57.136 CB :: 31.273 CG :: 36.462 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.028 HA :: 4.216 HB2 :: 2.066 HB3 :: 2.217 HG2 :: 2.376 HG3 :: 2.378 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.857 Ave N Shift Values>> N :: 120.67(3.48) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 G 0.15 I 0.08 A 0.01 C Shift Assignments>> C :: 176.868 CA :: 59.142 CB :: 43.115 CG1 :: 25.210 CG2 :: 19.540 CD1 :: 14.845 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.022 HA :: 4.835 HB :: 2.113 HG12 :: 1.072 HG13 :: 1.058 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 109.164 Ave N Shift Values>> N :: 121.46(4.28) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.32 C 0.17 G 0.04 HN Overlap>> 1.R78 1.R78 C Shift Assignments>> C :: 174.171 CA :: 57.791 CB :: 42.859 CD2 :: 132.000 CE2 :: 128.700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.605 HA :: 5.112 HB2 :: 2.330 HB3 :: 3.339 HD2 :: 7.242 HE2 :: 7.047 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.509 Ave N Shift Values>> N :: 120.45(4.18) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.35 K 0.13 G 0.09 C Shift Assignments>> C :: 176.930 CA :: 55.404 CB :: 33.431 CG :: 27.691 CD :: 43.461 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.352 HA :: 4.772 HB2 :: 1.765 HB3 :: 1.925 HG2 :: 1.623 HG3 :: 1.623 HD2 :: 3.220 HD3 :: 3.222 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.908 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.738 CA :: 44.451 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.467 HA2 :: 4.188 HA3 :: 3.820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.477 Ave N Shift Values>> N :: 109.67(3.87) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.05 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 173.530 CA :: 52.733 CB :: 39.642 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.523 HA :: 4.734 HB2 :: 2.641 HB3 :: 2.802 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.193 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.23 G 0.19 D 0.1 C 0.04 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.030 CA :: 54.269 CB :: 43.983 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.098 HA :: 5.083 HB2 :: 2.227 HB3 :: 2.613 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.602 Ave N Shift Values>> N :: 120.65(3.86) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 A 0.3 C 0.18 K 0.03 P 0.01 C Shift Assignments>> C :: 175.345 CA :: 50.462 CB :: 23.145 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.979 HA :: 4.716 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.146 Ave N Shift Values>> N :: 123.23(3.54) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.21 I 0.09 K 0.06 Q 0.06 R 0.02 L 0.01 C Shift Assignments>> C :: 177.181 CA :: 56.358 CB :: 26.752 CG :: 36.196 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.829 HA :: 3.895 HB2 :: 2.085 HB3 :: 2.170 HG2 :: 2.257 HG3 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.917 Ave N Shift Values>> N :: 120.67(3.48) 1.C114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.3 R 0.19 C 0.06 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 174.738 CA :: 56.164 CB :: 44.458 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.671 HA :: 5.470 HB2 :: 2.575 HB3 :: 2.943 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.476 Ave N Shift Values>> N :: 120.17(4.64) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.3 G 0.13 K 0.06 C Shift Assignments>> C :: 172.028 CA :: 53.668 CB :: 31.561 CG :: 26.377 CD :: 43.524 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.238 HA :: 4.925 HB2 :: 1.815 HB3 :: 1.948 HG2 :: 1.606 HG3 :: 1.709 HD2 :: 3.235 HD3 :: 3.235 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.444 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.138 CA :: 64.020 CB :: 32.162 CG :: 28.046 CD :: 50.372 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.546 HB2 :: 1.784 HB3 :: 2.434 HG2 :: 1.963 HG3 :: 1.963 HD2 :: 3.591 HD3 :: 3.828 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.26 Y 0.2 C Shift Assignments>> C :: 175.032 CA :: 57.408 CB :: 40.377 CD2 :: 131.000 CE1 :: 129.336 CE2 :: 131.400 CZ :: 130.380 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.335 HA :: 4.706 HB2 :: 2.509 HB3 :: 2.632 HD2 :: 6.695 HE1 :: 6.842 HE2 :: 6.982 HZ :: 7.112 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.392 Ave N Shift Values>> N :: 120.45(4.18) 1.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.071 CA :: 60.948 CB :: 69.430 CG2 :: 21.046 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.146 HA :: 4.140 HB :: 4.254 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.912 Ave N Shift Values>> N :: 115.42(4.75) 1.G119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 178.119 CA :: 46.121 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.733(S) HA2 :: 3.681 HA3 :: 3.133 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.625 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 6 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 1 C Shift Results: #Consistent: 513 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 787 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 1 N Shift Results: #Consistent: 115 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R51 HD2 = 1.739(S), Expected = 3.12, Std = 0.2400, ChiSquare = 8.7070e-09 1.R51 HD3 = 0.281(A), Expected = 3.10, Std = 0.2600, ChiSquare = 2.1693e-27 1.R51 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R51 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.R51 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.R51 SRO Rule Break>> HD3 > HG2 : 0.997402597402597 1.R51 SRO Rule Break>> HD3 > HG3 : 0.998244844229925 1.M52 HG2 = 1.201(S), Expected = 2.42, Std = 0.3500, ChiSquare = 4.9609e-04 1.A56 HB1 = -0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2678e-09 1.A56 HB2 = -0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2678e-09 1.A56 HB3 = -0.154(S), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2678e-09 1.K67 HE3 = 2.110(S), Expected = 2.91, Std = 0.2000, ChiSquare = 6.3342e-05 1.A68 HA = 5.851(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.9930e-04 1.V69 HG21 = -0.193(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9049e-04 1.V69 HG22 = -0.193(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9049e-04 1.V69 HG23 = -0.193(S), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9049e-04 1.G119 H = 5.733(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4589e-05