Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.44618 HB2 :: 3.12848 HB3 :: 3.12848 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) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.L14 1.L14 C Shift Assignments>> C :: 175.5751 CA :: 65.41267 CB :: 31.51793 CG1 :: 22.23703 CG2 :: 22.23703 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 :: 8.50351 HA :: 3.93985 HB :: 2.30468 HG11 :: 1.1901 HG12 :: 1.1901 HG13 :: 1.1901 HG21 :: 0.97579 HG22 :: 0.97579 HG23 :: 0.97579 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 :: 119.80762 Ave N Shift Values>> N :: 121.14(4.54) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 G 0.07 A 0.05 C Shift Assignments>> C :: 176.56316 CA :: 54.38139 CB :: 42.97796 CG :: 26.82683 CD1 :: 23.22563 CD2 :: 23.22563 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 :: 6.78844 HA :: 4.35113 HB2 :: 1.80755 HB3 :: 2.16944 HG :: 1.59357 HD11 :: 0.95306 HD12 :: 0.95306 HD13 :: 0.95306 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 :: 116.5371 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 177.04356 CA :: 46.40829 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.97037 HA2 :: 3.91612 HA3 :: 3.98729 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0081 Ave N Shift Values>> N :: 109.67(3.87) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.21 Q 0.18 M 0.18 K 0.17 V 0.07 Y 0.05 I 0.03 H 0.02 R 0.02 F 0.02 C Shift Assignments>> C :: 177.5906 CA :: 58.31171 CB :: 34.85564 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 :: 7.82909 HA :: 3.92943 HB :: 1.58864 HG11 :: 1.08919 HG12 :: 1.08919 HG13 :: 1.08919 HG21 :: 0.75034 HG22 :: 0.75034 HG23 :: 0.75034 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 :: 110.65728 Ave N Shift Values>> N :: 121.14(4.54) 1.K6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.33989 CA :: 63.25367 CB :: 32.18342 CG :: 27.99306 CD :: 50.24574 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 :: 3.95601 HB2 :: 2.23111 HB3 :: 1.83589 HD2 :: 3.565 HD3 :: 3.470 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.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 M 0.07 E 0.04 Y 0.03 F 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 176.67258 CA :: 51.4469 CB :: 36.73251 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 :: 7.17893 HA :: 4.4802 HB2 :: 2.97153 HB3 :: 2.45891 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 :: 111.32638 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 173.61082 CA :: 53.02747 CB :: 19.17504 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.68872 HA :: 4.40017 HB1 :: 1.54155 HB2 :: 1.54155 HB3 :: 1.54155 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.59259 Ave N Shift Values>> N :: 123.23(3.54) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.83497 CA :: 60.4545 CB :: 71.32284 CG2 :: 21.86598 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 :: 8.91073 HA :: 4.57625 HB :: 4.37462 HG21 :: 1.67826 HG22 :: 1.67826 HG23 :: 1.67826 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 :: 113.57144 Ave N Shift Values>> N :: 115.42(4.75) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.89 E 0.1 C Shift Assignments>> C :: 173.35348 CA :: 59.47515 CB :: 27.87976 CG :: 33.30878 CD :: 180.77272 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 :: 9.03731 HA :: 4.0923 HB2 :: 1.4018 HG2 :: 2.1567 HG3 :: 2.48193 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 :: 119.66693 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.39 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 173.26661 CA :: 59.85046 CB :: 29.22271 CG :: 36.50329 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 :: 8.55865 HA :: 4.07175 HB2 :: 2.0065 HB3 :: 2.14064 HG2 :: 2.39856 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 :: 118.70541 Ave N Shift Values>> N :: 120.67(3.48) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.43 C Shift Assignments>> C :: 172.01601 CA :: 58.32024 CB :: 34.42383 CG :: 37.80366 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 :: 7.82272 HA :: 3.9561 HB2 :: 1.98879 HB3 :: 2.44062 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 :: 120.28269 Ave N Shift Values>> N :: 120.67(3.48) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 G 0.03 HN Overlap>> 1.V2 1.V2 C Shift Assignments>> C :: 174.40298 CA :: 53.85402 CB :: 42.44428 CG :: 26.83291 CD1 :: 25.57309 CD2 :: 25.57309 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 :: 8.41924 HA :: 4.82984 HB2 :: 1.67732 HB3 :: 1.81492 HG :: 1.56478 HD11 :: 0.92023 HD12 :: 0.92023 HD13 :: 0.92023 HD21 :: 0.81228 HD22 :: 0.81228 HD23 :: 0.81228 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 :: 119.84694 Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.67 R 0.3 G 0.02 C Shift Assignments>> C :: 174.02733 CA :: 60.56813 CB :: 32.85736 CG :: 25.8021 CD :: 29.90071 CE :: 42.15503 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 :: 8.12132 HA :: 4.042 HB2 :: 2.08669 HG2 :: 1.31664 HD2 :: 1.78732 HE2 :: 2.96658 HE3 :: 2.96658 HZ1 :: 7.48275(U) HZ2 :: 7.48275(U) HZ3 :: 7.48275(U) 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 :: 118.32523 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.69 R 0.28 G 0.01 C Shift Assignments>> C :: 173.25379 CA :: 59.83002 CB :: 32.83364 CG :: 25.87011 CD :: 29.54521 CE :: 42.08338 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 :: 7.99455 HA :: 3.96014 HB2 :: 1.90657 HB3 :: 2.12957 HG2 :: 1.44137 HD2 :: 1.6637 HE2 :: 2.85298 HE3 :: 2.85298 HZ1 :: 7.35684(U) HZ2 :: 7.35684(U) HZ3 :: 7.35684(U) 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 :: 118.01412 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.36 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 173.02268 CA :: 55.106 CB :: 19.11334 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8512 HA :: 4.15909 HB1 :: 1.57059 HB2 :: 1.57059 HB3 :: 1.57059 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.16214 Ave N Shift Values>> N :: 123.23(3.54) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.56344 CA :: 62.07931 CB :: 38.49188 CG :: 127.92874 CD1 :: 133.72994 CD2 :: 133.72994 CE1 :: 115.36189 CE2 :: 115.36189 CZ :: 157.08719 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 :: 8.38145 HA :: 4.05055 HB2 :: 1.99499 HB3 :: 2.42393 HD1 :: 6.99406 HD2 :: 6.99406 HE1 :: 6.7841 HE2 :: 6.7841 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 :: 117.398 Ave N Shift Values>> N :: 120.52(4.2) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.16 K 0.11 C Shift Assignments>> C :: 174.94271 CA :: 59.92458 CB :: 30.29515 CG :: 28.07471 CD :: 43.39384 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 :: 8.16586 HA :: 3.70294 HB2 :: 1.73805 HB3 :: 1.9501 HG2 :: 1.54811 HG3 :: 1.13976 HD2 :: 3.16685 HD3 :: 3.37691 HE :: 7.11332 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 :: 116.87341 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.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.84 R 0.14 G 0.01 C Shift Assignments>> C :: 172.84671 CA :: 59.03949 CB :: 32.83247 CG :: 24.96851 CD :: 29.49954 CE :: 42.00209 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 :: 7.19401 HA :: 3.96094 HB2 :: 1.87969 HB3 :: 1.75679 HG2 :: 1.46324 HD2 :: 1.726 HE2 :: 2.92941 HE3 :: 2.92941 HZ1 :: 7.34373(U) HZ2 :: 7.34373(U) HZ3 :: 7.34373(U) 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 :: 114.16449 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.05 A 0.02 C Shift Assignments>> C :: 174.19753 CA :: 57.21369 CB :: 42.56381 CG :: 27.17868 CD1 :: 22.61952 CD2 :: 22.61952 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 :: 7.90794 HA :: 3.98145 HB2 :: 1.90226 HB3 :: 1.76284 HG :: 1.49194 HD11 :: 0.8087 HD12 :: 0.8087 HD13 :: 0.8087 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 :: 119.34289 Ave N Shift Values>> N :: 121.86(3.9) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.23 I 0.06 C Shift Assignments>> C :: 173.16929 CA :: 55.62342 CB :: 17.42263 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.30348 HA :: 3.91415 HB1 :: 1.00673 HB2 :: 1.00673 HB3 :: 1.00673 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0122 Ave N Shift Values>> N :: 123.23(3.54) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 A 0.02 C Shift Assignments>> C :: 173.45602 CA :: 56.88455 CB :: 41.71776 CG :: 26.9256 CD1 :: 25.33452 CD2 :: 22.72599 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 :: 7.05083 HA :: 4.01932 HB2 :: 1.85614 HB3 :: 1.725 HG :: 1.3975 HD11 :: 0.91376 HD12 :: 0.91376 HD13 :: 0.91376 HD21 :: 0.68195 HD22 :: 0.68195 HD23 :: 0.68195 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 :: 112.48814 Ave N Shift Values>> N :: 121.86(3.9) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> C :: 174.58642 CA :: 58.40489 CB :: 33.24124 CG :: 24.7363 CD :: 29.6758 CE :: 42.20054 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 :: 7.15463 HA :: 4.04321 HB2 :: 1.83729 HG2 :: 1.02738 HD2 :: 1.43125 HE2 :: 2.9531 HE3 :: 2.9531 HZ1 :: 7.24872(U) HZ2 :: 7.24872(U) HZ3 :: 7.24872(U) 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 :: 118.01361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.42236 CA :: 56.44998 CB :: 38.53889 CG :: 123.00743 CD1 :: 131.47364 CD2 :: 131.47364 CE1 :: 116.51495 CE2 :: 116.51495 CZ :: 161.75577 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 :: 7.73625 HA :: 4.6833 HB2 :: 2.58778 HB3 :: 3.51571 HD1 :: 7.14753 HD2 :: 7.14753 HE1 :: 6.86697 HE2 :: 6.86697 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 :: 113.66949 Ave N Shift Values>> N :: 120.52(4.2) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 177.44035 CA :: 55.94326 CB :: 30.68279 CG :: 132.50533 CD2 :: 119.79032 CE1 :: 136.68357 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 :: 7.19013 HA :: 4.67531 HB2 :: 3.17779 HB3 :: 2.4706 HD1 :: 6.9473 HE1 :: 7.84355 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 :: 121.85175 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.78939 CB :: 31.87654 CG :: 27.10037 CD :: 49.89354 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 :: 4.1891 HB2 :: 2.1559 HB3 :: 2.32082 HD2 :: 3.777 HD3 :: 3.963 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.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 D 0.22 Y 0.2 L 0.17 N 0.06 K 0.05 I 0.02 C Shift Assignments>> C :: 175.05714 CA :: 56.2371 CB :: 40.36235 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 :: 10.19815 HA :: 4.39642 HB2 :: 2.57954 HB3 :: 2.57954 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 :: 119.42007 Ave N Shift Values>> N :: 120.65(3.86) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.74 R 0.23 G 0.01 C Shift Assignments>> C :: 176.01589 CA :: 55.64446 CB :: 33.49995 CG :: 24.50433 CD :: 28.25631 CE :: 42.09075 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 :: 7.80619 HA :: 4.3372 HB2 :: 1.809 HB3 :: 1.66766 HG2 :: 1.44727 HG3 :: 1.31644 HD2 :: 1.57565 HE2 :: 2.79249 HE3 :: 2.53747 HZ1 :: 7.3847(U) HZ2 :: 7.3847(U) HZ3 :: 7.3847(U) 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 :: 117.48297 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 D 0.14 L 0.09 N 0.08 I 0.05 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 172.80938 CA :: 56.63483 CB :: 39.38826 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 :: 7.99082 HA :: 5.06564 HB2 :: 2.87503 HB3 :: 2.54732 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 :: 116.69593 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.71298 CA :: 64.33167 CB :: 32.10169 CG :: 26.84636 CD :: 50.58777 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 :: 4.43322 HB2 :: 2.46692 HG2 :: 2.09113 HD2 :: 3.16347 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.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.22 Y 0.12 F 0.12 L 0.07 C Shift Assignments>> C :: 176.1844 CA :: 54.1762 CB :: 39.05073 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 :: 8.47439 HA :: 4.80744 HB2 :: 2.82695 HB3 :: 2.97969 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 :: 115.23827 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.32 E 0.18 R 0.04 M 0.02 C Shift Assignments>> C :: 175.95553 CA :: 55.15423 CB :: 28.74784 CG :: 34.61663 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 :: 7.27346 HA :: 5.01248 HB2 :: 2.05738 HG2 :: 2.42244 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 :: 119.07119 Ave N Shift Values>> N :: 120.67(3.48) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 P 0.25 A 0.12 N 0.04 L 0.02 D 0.01 C Shift Assignments>> C :: 175.38892 CA :: 48.04534 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0922 HA2 :: 3.92148 HA3 :: 3.75414 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.68741 Ave N Shift Values>> N :: 109.67(3.87) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.25 K 0.15 Q 0.09 C Shift Assignments>> C :: 173.53661 CA :: 59.04311 CB :: 28.74401 CG :: 36.00487 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 :: 8.59122 HA :: 3.88166 HB2 :: 1.964 HB3 :: 2.08637 HG2 :: 2.23602 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 :: 121.89524 Ave N Shift Values>> N :: 120.67(3.48) 1.K36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.72 R 0.26 G 0.01 C Shift Assignments>> C :: 173.66396 CA :: 59.60963 CB :: 31.41734 CG :: 25.02702 CD :: 28.6899 CE :: 42.01005 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 :: 7.85398 HA :: 4.11755 HB2 :: 1.90301 HG2 :: 1.15542 HD2 :: 1.41984 HD3 :: 0.91145 HE2 :: 2.98611 HE3 :: 2.79108 HZ1 :: 7.57306(U) HZ2 :: 7.57306(U) HZ3 :: 7.57306(U) 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 :: 120.90793 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.13982 CA :: 61.72012 CB :: 38.82757 CG :: 139.04453 CD1 :: 131.3543 CD2 :: 131.3543 CE1 :: 130.03357 CE2 :: 130.03357 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 :: 8.34372 HA :: 4.06949 HB2 :: 2.65111 HB3 :: 3.11378 HD1 :: 6.80728 HD2 :: 6.80728 HE1 :: 7.40111 HE2 :: 7.40111 HZ :: 7.47466 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 :: 118.68314 Ave N Shift Values>> N :: 120.45(4.18) 1.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.64 R 0.33 G 0.01 C Shift Assignments>> C :: 174.31658 CA :: 60.1243 CB :: 31.9061 CG :: 25.83874 CD :: 29.98572 CE :: 42.1167 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 :: 8.15216 HA :: 4.17871 HB2 :: 1.96116 HG2 :: 1.56514 HD2 :: 1.80952 HE2 :: 2.89237 HE3 :: 3.18111 HZ1 :: 7.39083(U) HZ2 :: 7.39083(U) HZ3 :: 7.39083(U) 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 :: 120.9723 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.89 E 0.1 C Shift Assignments>> C :: 172.81717 CA :: 59.46338 CB :: 28.64933 CG :: 34.02535 CD :: 179.09156 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 :: 8.01753 HA :: 3.97095 HB2 :: 2.12967 HB3 :: 1.96565 HG2 :: 2.51827 HG3 :: 2.27003 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 :: 118.9533 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 175.34993 CA :: 64.94485 CB :: 38.34098 CG1 :: 27.86001 CG2 :: 18.86573 CD1 :: 16.05086 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 :: 8.47094 HA :: 3.97492 HB :: 1.90558 HG12 :: 1.64417 HG13 :: 1.1006 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 :: 116.41322 Ave N Shift Values>> N :: 121.46(4.28) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.27 T 0.26 I 0.21 P 0.15 F 0.02 Y 0.02 S 0.02 C Shift Assignments>> C :: 177.51529 CA :: 62.43258 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.50052 HA :: 4.78079 HB2 :: 3.74556 HB3 :: 3.88931 HG :: 3.76724 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 :: 116.6602 Ave N Shift Values>> N :: 116.28(3.52) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.91 E 0.08 C Shift Assignments>> C :: 175.69094 CA :: 58.71435 CB :: 27.94008 CG :: 33.76638 CD :: 179.56681 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 :: 7.93298 HA :: 3.78169 HB2 :: 2.07141 HB3 :: 1.72785 HG2 :: 2.38448 HG3 :: 1.85248 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 :: 121.46072 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 173.7797 CA :: 54.33087 CB :: 18.38204 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.36642 HA :: 3.70512 HB1 :: 1.09427 HB2 :: 1.09427 HB3 :: 1.09427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.43729 Ave N Shift Values>> N :: 123.23(3.54) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.95065 CA :: 62.39012 CB :: 39.32425 CG :: 126.21495 CD1 :: 135.04161 CD2 :: 135.04161 CE1 :: 115.97278 CE2 :: 115.97278 CZ :: 158.67446 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 :: 8.03253 HA :: 3.62492 HB2 :: 2.35373 HB3 :: 2.75964 HD1 :: 7.04697 HD2 :: 7.04697 HE1 :: 6.53674 HE2 :: 6.53674 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 :: 115.85798 Ave N Shift Values>> N :: 120.52(4.2) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.4 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.89317 CA :: 59.95306 CB :: 29.21519 CG :: 36.47402 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 :: 8.39617 HA :: 4.20974 HB2 :: 2.33358 HG2 :: 1.99884 HG3 :: 1.81224 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 :: 121.95048 Ave N Shift Values>> N :: 120.67(3.48) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.69984 CA :: 65.76161 CB :: 32.02955 CG1 :: 21.16531 CG2 :: 24.24439 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 :: 7.05369 HA :: 3.46081 HB :: 2.04582 HG11 :: 1.36835 HG12 :: 1.36835 HG13 :: 1.36835 HG21 :: 0.87528 HG22 :: 0.87528 HG23 :: 0.87528 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 :: 115.40177 Ave N Shift Values>> N :: 121.14(4.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.05 G 0.03 A 0.02 C Shift Assignments>> C :: 175.31681 CA :: 56.65409 CB :: 42.43427 CG :: 25.84975 CD1 :: 25.59415 CD2 :: 22.67399 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 :: 7.83216 HA :: 3.6622 HB2 :: 1.78826 HB3 :: 1.58046 HG :: 1.3533 HD11 :: 1.00423 HD12 :: 1.00423 HD13 :: 1.00423 HD21 :: 0.75304 HD22 :: 0.75304 HD23 :: 0.75304 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 :: 111.82982 Ave N Shift Values>> N :: 121.86(3.9) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.17679 CA :: 59.22985 CB :: 63.01368 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.78851 HA :: 4.76291 HB2 :: 3.72051 HB3 :: 3.49236 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 :: 108.66929 Ave N Shift Values>> N :: 116.28(3.52) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.22 R 0.19 D 0.18 F 0.02 K 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 177.67515 CA :: 52.27736 CB :: 43.48765 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 :: 6.97154 HA :: 4.72255 HB2 :: 2.99443 HB3 :: 2.63233 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 :: 124.71722 Ave N Shift Values>> N :: 120.65(3.86) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.06 V 0.01 C Shift Assignments>> C :: 171.9938 CA :: 55.87522 CB :: 18.6067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.76711 HA :: 3.92605 HB1 :: 1.44683 HB2 :: 1.44683 HB3 :: 1.44683 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.4659 Ave N Shift Values>> N :: 123.23(3.54) 1.K51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> R 0.72 K 0.17 G 0.08 HN Overlap>> 1.N30 1.N30 C Shift Assignments>> C :: 176.13883 CA :: 57.26686 CB :: 31.25392 CG :: 25.07251 CD :: 27.07136 CE :: 43.27357 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 :: 7.98862 HA :: 4.37492 HB2 :: 1.89503 HG2 :: 1.43934 HD2 :: 1.66656 HE2 :: 2.88956 HE3 :: 2.88956 HZ1 :: 7.43053(U) HZ2 :: 7.43053(U) HZ3 :: 7.43053(U) 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 :: 116.76065 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> R 0.68 K 0.28 G 0.02 C Shift Assignments>> C :: 174.20709 CA :: 60.19366 CB :: 32.8757 CG :: 26.92535 CD :: 30.38101 CE :: 42.18369 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 :: 8.30136 HA :: 4.2686 HB2 :: 1.79164 HB3 :: 1.89688 HG2 :: 1.35342 HD2 :: 1.62713 HE2 :: 2.89818 HE3 :: 2.89818 HZ1 :: 7.49214(U) HZ2 :: 7.49214(U) HZ3 :: 7.49214(U) 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 :: 122.01914 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 G 0.4 K 0.03 L 0.01 C Shift Assignments>> C :: 174.83089 CA :: 60.42833 CB :: 29.63341 CG :: 26.37602 CD :: 43.94089 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 :: 9.35961 HA :: 3.67063 HB2 :: 2.19973 HB3 :: 2.47015 HG2 :: 1.77236 HG3 :: 1.43208 HD2 :: 2.94928 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 :: 121.31067 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.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.27 K 0.1 Q 0.05 M 0.02 C Shift Assignments>> C :: 173.36039 CA :: 59.58121 CB :: 29.52301 CG :: 36.23763 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 :: 7.41156 HA :: 4.12087 HB2 :: 2.16562 HB3 :: 2.31135 HG2 :: 2.42343 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 :: 117.55484 Ave N Shift Values>> N :: 120.67(3.48) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 G 0.01 C Shift Assignments>> C :: 173.12458 CA :: 57.75744 CB :: 42.11364 CG :: 26.67072 CD1 :: 24.76971 CD2 :: 23.76584 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 :: 7.49466 HA :: 4.01334 HB2 :: 1.85409 HB3 :: 1.70304 HG :: 1.44432 HD11 :: 0.8927 HD12 :: 0.8927 HD13 :: 0.8927 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 :: 119.12006 Ave N Shift Values>> N :: 121.86(3.9) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 172.7738 CA :: 61.10806 CB :: 38.64805 CG :: 129.08037 CD1 :: 135.5137 CD2 :: 135.5137 CE1 :: 119.05519 CE2 :: 119.05519 CZ :: 156.742 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 :: 8.97945 HA :: 3.99126 HB2 :: 2.87165 HB3 :: 2.99263 HD1 :: 7.02395 HD2 :: 7.02395 HE1 :: 6.34161 HE2 :: 6.34161 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 :: 121.42982 Ave N Shift Values>> N :: 120.52(4.2) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 D 0.14 L 0.12 I 0.06 N 0.04 K 0.02 C Shift Assignments>> C :: 174.57533 CA :: 57.07466 CB :: 40.03134 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 :: 9.53811 HA :: 4.84837 HB2 :: 2.92982 HB3 :: 3.0289 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 :: 124.84074 Ave N Shift Values>> N :: 120.65(3.86) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 174.36447 CA :: 57.95145 CB :: 33.50687 CG :: 25.25828 CD :: 29.23707 CE :: 41.99449 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 :: 7.47164 HA :: 4.37933 HB2 :: 1.82801 HG2 :: 1.3618 HD2 :: 1.49424 HE2 :: 2.81848 HE3 :: 2.87683 HZ1 :: 7.36725(U) HZ2 :: 7.36725(U) HZ3 :: 7.36725(U) 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 :: 115.40937 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 177.38295 CA :: 45.56569 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36785 HA2 :: 4.47027 HA3 :: 3.96964 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.10284 Ave N Shift Values>> N :: 109.67(3.87) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 179.04638 CA :: 44.35308 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.957 HA2 :: 3.93568 HA3 :: 3.10348 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.91515 Ave N Shift Values>> N :: 109.67(3.87) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.38 K 0.03 M 0.03 Q 0.01 C Shift Assignments>> C :: 173.68002 CA :: 59.87187 CB :: 30.01477 CG :: 37.00985 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 :: 8.86043 HA :: 3.89605 HB2 :: 2.16086 HG2 :: 2.38482 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 :: 121.08547 Ave N Shift Values>> N :: 120.67(3.48) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.86 E 0.13 C Shift Assignments>> C :: 175.10344 CA :: 58.37943 CB :: 28.12059 CG :: 33.38029 CD :: 180.84481 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 :: 9.05404 HA :: 3.97071 HB2 :: 2.14017 HB3 :: 1.98913 HG2 :: 2.41721 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 :: 117.70537 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 L 0.01 C Shift Assignments>> C :: 173.06716 CA :: 53.84115 CB :: 19.29332 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.07122 HA :: 4.14842 HB1 :: 1.35541 HB2 :: 1.35541 HB3 :: 1.35541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.42302 Ave N Shift Values>> N :: 123.23(3.54) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 Y 0.24 F 0.16 E 0.1 V 0.01 M 0.01 C Shift Assignments>> C :: 175.11562 CA :: 60.47731 CB :: 37.3431 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 :: 7.31707 HA :: 4.13873 HB :: 1.63126 HG12 :: 1.3341 HG13 :: 1.3341 HD11 :: 0.96006 HD12 :: 0.96006 HD13 :: 0.96006 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 :: 113.21617 Ave N Shift Values>> N :: 121.46(4.28) 1.K65 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.63 K 0.11 M 0.09 Q 0.07 I 0.07 C Shift Assignments>> CA :: 57.01387 CB :: 29.89156 CG :: 36.37415 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>> HA :: 4.23455 HB2 :: 2.13839 HG2 :: 2.43097 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) 1.G67 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.G68 1.G72 1.G68 1.G72 1.G71 1.G71 H Shift Assignments>> H :: 8.12355 HA2 :: 3.87518 HA3 :: 4.21998 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.37939 Ave N Shift Values>> N :: 109.67(3.87) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 HN Overlap>> 1.G72 1.G67 1.G71 1.G72 1.G67 1.G71 C Shift Assignments>> C :: 178.0674 CA :: 45.40088 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.05441 HA2 :: 4.1761 HA3 :: 3.91862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.46535 Ave N Shift Values>> N :: 109.67(3.87) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 174.10203 CA :: 52.81516 CB :: 18.95534 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.29331 HA :: 4.29413 HB1 :: 1.33948 HB2 :: 1.33948 HB3 :: 1.33948 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.67278 Ave N Shift Values>> N :: 123.23(3.54) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 177.84881 CA :: 45.43912 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.41612 HA2 :: 4.29977 HA3 :: 3.94019 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.0513 Ave N Shift Values>> N :: 109.67(3.87) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 HN Overlap>> 1.G68 1.G72 1.G67 1.G68 1.G72 1.G67 C Shift Assignments>> C :: 178.03512 CA :: 45.25836 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.08029 HA2 :: 4.11314 HA3 :: 4.00606 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.45583 Ave N Shift Values>> N :: 109.67(3.87) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.G68 1.G68 1.G67 1.G71 1.G67 1.G71 C Shift Assignments>> C :: 178.77619 CA :: 44.88463 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.08893 HA2 :: 3.85438 HA3 :: 3.90022 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.45071 Ave N Shift Values>> N :: 109.67(3.87) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.M82 1.M82 C Shift Assignments>> C :: 175.69346 CA :: 57.62289 CB :: 40.20452 CG :: 140.1647 CD1 :: 132.20298 CD2 :: 132.20298 CE1 :: 130.70755 CE2 :: 130.70755 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 :: 8.05126 HA :: 4.75373 HB2 :: 3.35881 HB3 :: 2.96636 HD1 :: 7.38218 HD2 :: 7.38218 HZ :: 7.38623 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 :: 119.16173 Ave N Shift Values>> N :: 120.45(4.18) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.23 R 0.11 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 178.61958 CA :: 44.56137 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.64603 HA2 :: 4.11204 HA3 :: 3.75118 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1025 Ave N Shift Values>> N :: 109.67(3.87) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.07088 CA :: 55.93987 CB :: 63.6349 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.72988 HA :: 4.82422 HB2 :: 4.03356 HB3 :: 3.79622 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 :: 117.34784 Ave N Shift Values>> N :: 116.28(3.52) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.01301 CA :: 65.3075 CB :: 32.44846 CG :: 27.95822 CD :: 50.6795 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 :: 4.38651 HB2 :: 2.12692 HD2 :: 3.43388 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.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.05 C Shift Assignments>> C :: 174.66327 CA :: 56.66933 CB :: 31.15007 CG :: 32.82401 CE :: 15.92471 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 :: 8.31258 HA :: 4.6192 HB2 :: 2.04619 HB3 :: 1.93054 HG2 :: 2.60359 HE1 :: 1.4559 HE2 :: 1.4559 HE3 :: 1.4559 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 :: 116.08162 Ave N Shift Values>> N :: 120.09(3.57) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 D 0.16 L 0.14 I 0.05 N 0.04 K 0.03 C Shift Assignments>> C :: 173.86545 CA :: 56.8756 CB :: 40.20991 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 :: 7.70351 HA :: 4.21092 HB2 :: 2.52302 HB3 :: 2.07279 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 :: 120.86402 Ave N Shift Values>> N :: 120.65(3.86) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.84025 CA :: 63.7056 CB :: 37.5887 CG1 :: 28.34124 CG2 :: 16.8253 CD1 :: 12.49274 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 :: 7.81575 HA :: 3.76056 HB :: 1.99211 HG12 :: 1.16593 HG13 :: 1.42395 HG21 :: 0.8991 HG22 :: 0.8991 HG23 :: 0.8991 HD11 :: 0.66331 HD12 :: 0.66331 HD13 :: 0.66331 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 :: 121.50681 Ave N Shift Values>> N :: 121.46(4.28) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.02603 CA :: 61.53962 CB :: 39.83019 CG :: 137.41833 CD1 :: 130.93774 CD2 :: 130.93774 CE1 :: 130.14862 CE2 :: 130.14862 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 :: 7.97531 HA :: 4.61108 HB2 :: 1.98761 HD1 :: 7.24471 HD2 :: 7.24471 HE1 :: 6.65173 HE2 :: 6.65173 HZ :: 7.16231 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 :: 121.71568 Ave N Shift Values>> N :: 120.45(4.18) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.17 D 0.16 K 0.12 I 0.03 N 0.02 C Shift Assignments>> C :: 173.10521 CA :: 56.94174 CB :: 40.78648 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 :: 8.6371 HA :: 4.54505 HB2 :: 2.89097 HB3 :: 2.69501 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 :: 119.80055 Ave N Shift Values>> N :: 120.65(3.86) 1.M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 1.F73 1.F73 C Shift Assignments>> C :: 174.69548 CA :: 59.7042 CB :: 32.3592 CG :: 32.17957 CE :: 19.02938 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 :: 8.14442 HA :: 4.12359 HB2 :: 2.10829 HB3 :: 1.81207 HG2 :: 2.57204 HE1 :: 1.98465 HE2 :: 1.98465 HE3 :: 1.98465 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 :: 119.13704 Ave N Shift Values>> N :: 120.09(3.57) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.I40 1.I40 C Shift Assignments>> C :: 175.18185 CA :: 60.80466 CB :: 39.79844 CG :: 139.47861 CD1 :: 131.27695 CD2 :: 131.27695 CE1 :: 129.92027 CE2 :: 129.92027 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 :: 8.46264 HA :: 4.58291 HB2 :: 2.92899 HB3 :: 2.86351 HD1 :: 7.21271 HD2 :: 7.21271 HE1 :: 7.0856 HE2 :: 7.0856 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 :: 116.30396 Ave N Shift Values>> N :: 120.45(4.18) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> C :: 175.61506 CA :: 59.62081 CB :: 39.30252 CG :: 136.42479 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 :: 8.46704 HA :: 4.06487 HB2 :: 2.51353 HB3 :: 2.13848 HD1 :: 7.01801 HD2 :: 7.01801 HE1 :: 7.15932 HE2 :: 7.15932 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 :: 115.9689 Ave N Shift Values>> N :: 120.45(4.18) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 177.49744 CA :: 45.42229 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.94454 HA2 :: 4.08893 HA3 :: 3.97046 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.07447 Ave N Shift Values>> N :: 109.67(3.87) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 177.42079 CA :: 45.49918 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.29077 HA2 :: 4.14688 HA3 :: 3.9839 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.74934 Ave N Shift Values>> N :: 109.67(3.87) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 177.88835 CA :: 45.61527 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.40618 HA2 :: 4.11411 HA3 :: 3.94018 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.86885 Ave N Shift Values>> N :: 109.67(3.87) 1.G88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.91 G 0.08 C Shift Assignments>> C :: 175.09298 CA :: 59.84874 CB :: 29.47867 CG :: 27.6688 CD :: 42.92169 CZ :: 158.52328 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>> HA :: 4.27111 HB2 :: 1.8245 HB3 :: 1.79355 HG2 :: 1.53043 HG3 :: 1.60925 HD2 :: 3.00857 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) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 A 0.14 I 0.02 C Shift Assignments>> C :: 174.78236 CA :: 57.85681 CB :: 32.76911 CG :: 29.95853 CE :: 18.85393 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 :: 7.84218 HA :: 4.77989 HB2 :: 1.96269 HG2 :: 2.30833 HE1 :: 1.98855 HE2 :: 1.98855 HE3 :: 1.98855 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 :: 120.5454 Ave N Shift Values>> N :: 120.09(3.57) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.92 E 0.05 N 0.01 C Shift Assignments>> C :: 175.80813 CA :: 56.53443 CB :: 30.32918 CG :: 33.92931 CD :: 177.76323 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 :: 8.01575 HA :: 3.94394 HB2 :: 1.88767 HB3 :: 2.03341 HG2 :: 2.26511 HE21 :: 6.98595 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 :: 119.3797 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.19 H 0.19 Q 0.18 R 0.17 K 0.14 M 0.06 I 0.02 C Shift Assignments>> C :: 178.03939 CA :: 57.03176 CB :: 29.84466 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 :: 8.39892 HA :: 4.22544 HB2 :: 1.81346 HB3 :: 1.99867 HG2 :: 1.56156 HD2 :: 3.16652 HE :: 7.21773 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 :: 121.1296 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.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 I 0.14 M 0.11 K 0.02 C Shift Assignments>> C :: 175.6598 CA :: 56.85222 CB :: 30.38058 CG :: 37.78489 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 :: 8.2415 HA :: 4.3868 HB2 :: 1.91137 HG2 :: 2.42429 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 :: 122.49633 Ave N Shift Values>> N :: 120.67(3.48) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.59 K 0.29 G 0.1 C Shift Assignments>> C :: 175.96715 CA :: 55.89114 CB :: 32.2845 CG :: 28.23491 CD :: 43.39717 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 :: 8.38224 HA :: 4.7639 HB2 :: 1.82053 HB3 :: 1.99288 HG2 :: 1.66494 HG3 :: 1.53115 HD2 :: 3.00036 HD3 :: 3.41564 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 :: 120.03828 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.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.09 C Shift Assignments>> C :: 175.72747 CA :: 56.23188 CB :: 30.83847 CG :: 27.17828 CD :: 43.38604 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 :: 8.26304 HA :: 4.25116 HB2 :: 2.00159 HB3 :: 1.78415 HG2 :: 1.62282 HD2 :: 3.32051 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 :: 121.0677 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.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 178.67171 CA :: 45.21312 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3836 HA2 :: 4.31544 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.02157 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 0.78 R 0.19 G 0.01 C Shift Assignments>> C :: 176.13394 CA :: 56.33521 CB :: 33.12392 CG :: 24.74387 CD :: 29.08937 CE :: 42.20359 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 :: 8.17433 HA :: 4.40916 HB2 :: 1.9456 HB3 :: 2.05557 HG2 :: 1.56733 HD2 :: 1.76616 HE2 :: 2.89908 HE3 :: 2.89908 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 :: 120.40735 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.2 Y 0.09 F 0.09 L 0.05 C Shift Assignments>> C :: 178.35272 CA :: 53.56556 CB :: 38.83786 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 :: 8.5149 HA :: 4.75994 HB2 :: 2.72261 HB3 :: 2.91024 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 :: 120.2626 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 P 0.33 I 0.01 C Shift Assignments>> C :: 171.61466 CA :: 63.5469 CB :: 33.26589 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 :: 7.60494 HA :: 4.68593 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 :: 123.44223 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 89 #Clerical: 10 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 94 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 420 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 557 #Duplicate: 0 #Unknown: 30 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 89 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K15 HZ1 = 7.48275(U) 1.K15 HZ2 = 7.48275(U) 1.K15 HZ3 = 7.48275(U) 1.K16 HZ1 = 7.35684(U) 1.K16 HZ2 = 7.35684(U) 1.K16 HZ3 = 7.35684(U) 1.K20 HZ1 = 7.34373(U) 1.K20 HZ2 = 7.34373(U) 1.K20 HZ3 = 7.34373(U) 1.K24 HZ1 = 7.24872(U) 1.K24 HZ2 = 7.24872(U) 1.K24 HZ3 = 7.24872(U) 1.K29 HZ1 = 7.3847(U) 1.K29 HZ2 = 7.3847(U) 1.K29 HZ3 = 7.3847(U) 1.K36 HZ1 = 7.57306(U) 1.K36 HZ2 = 7.57306(U) 1.K36 HZ3 = 7.57306(U) 1.K38 HZ1 = 7.39083(U) 1.K38 HZ2 = 7.39083(U) 1.K38 HZ3 = 7.39083(U) 1.K51 HZ1 = 7.43053(U) 1.K51 HZ2 = 7.43053(U) 1.K51 HZ3 = 7.43053(U) 1.K52 HZ1 = 7.49214(U) 1.K52 HZ2 = 7.49214(U) 1.K52 HZ3 = 7.49214(U) 1.K58 HZ1 = 7.36725(U) 1.K58 HZ2 = 7.36725(U) 1.K58 HZ3 = 7.36725(U)