Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.49 M 0.48 A 0.02 C Shift Assignments>> CA :: 57.597 CB :: 32.140 CG :: 31.842 CE :: 16.925 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>> HA :: 4.367 HB2 :: 2.091 HB3 :: 2.091 HG2 :: 2.595 HG3 :: 2.641 HE1 :: 2.119 HE2 :: 2.119 HE3 :: 2.119 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.535 CB :: 18.334 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.547 HA :: 4.179 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.438 Ave N Shift Values>> N :: 123.23(3.54) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.625 CB :: 62.595 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.349 HA :: 4.238 HB2 :: 3.800 HB3 :: 4.010 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 :: 116.397 Ave N Shift Values>> N :: 116.28(3.52) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.19 L 0.14 C 0.1 N 0.07 I 0.02 K 0.02 C Shift Assignments>> CA :: 56.201 CB :: 40.119 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 :: 8.402 HA :: 4.444 HB2 :: 2.672 HB3 :: 2.807 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 :: 124.593 Ave N Shift Values>> N :: 120.65(3.86) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.32 C Shift Assignments>> CA :: 60.063 CB :: 32.229 CG :: 31.146 CE :: 17.771 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 :: 8.072 HA :: 4.110 HB2 :: 1.804 HB3 :: 1.804 HG2 :: 2.257 HG3 :: 2.737 HE1 :: 1.598 HE2 :: 1.598 HE3 :: 1.598 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 :: 118.493 Ave N Shift Values>> N :: 120.09(3.57) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.38 E 0.15 K 0.01 C Shift Assignments>> CA :: 60.691 CB :: 29.053 CG :: 37.320 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 :: 7.939 HA :: 3.736 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.224 HG3 :: 2.294 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 :: 119.974 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.13 K 0.11 Q 0.07 M 0.01 C Shift Assignments>> CA :: 59.195 CB :: 29.053 CG :: 35.754 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 :: 7.843 HA :: 4.122 HB2 :: 2.106 HB3 :: 2.106 HG2 :: 2.322 HG3 :: 2.411 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 :: 117.105 Ave N Shift Values>> N :: 120.67(3.48) 1.K8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 C Shift Assignments>> CA :: 59.272 CB :: 31.713 CG :: 25.457 CD :: 28.959 CE :: 41.795 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 :: 7.409 HA :: 4.201 HB2 :: 1.709 HB3 :: 1.795 HG2 :: 1.498 HG3 :: 1.603 HD2 :: 1.603 HD3 :: 1.603 HE2 :: 2.853 HE3 :: 2.813 HZ1 :: 7.351(U) HZ2 :: 7.351(U) HZ3 :: 7.351(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 :: 119.293 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 F 0.33 C Shift Assignments>> CA :: 58.141 CB :: 37.360 CD1 :: 129.783 CD2 :: 129.783 CE1 :: 130.841 CE2 :: 130.841 CZ :: 129.113 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 :: 8.819 HA :: 4.653 HB2 :: 2.969 HB3 :: 3.099 HD1 :: 6.233 HD2 :: 6.233 HE1 :: 6.346 HE2 :: 6.346 HZ :: 6.190 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 :: 120.018 Ave N Shift Values>> N :: 120.45(4.18) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.36 K 0.09 G 0.05 HN Overlap>> 1.M25 1.M25 C Shift Assignments>> CA :: 60.478 CB :: 30.946 CG :: 27.822 CD :: 43.022 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 :: 8.828 HA :: 4.269 HB2 :: 2.074 HB3 :: 2.074 HG2 :: 1.815 HG3 :: 2.040 HD2 :: 3.257 HD3 :: 3.320 HE :: 7.767 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 :: 124.170 NE :: 83.962 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.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.36 I 0.13 K 0.05 Q 0.03 M 0.02 C Shift Assignments>> CA :: 59.207 CB :: 29.771 CG :: 36.311 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 :: 8.537 HA :: 4.047 HB2 :: 2.165 HB3 :: 2.228 HG2 :: 2.365 HG3 :: 2.541 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 :: 118.254 Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.18 C 0.07 L 0.06 C Shift Assignments>> CA :: 54.918 CB :: 19.987 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.275 HA :: 4.518 HB1 :: 1.944 HB2 :: 1.944 HB3 :: 1.944 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.988 Ave N Shift Values>> N :: 123.23(3.54) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> CA :: 62.411 CB :: 39.000 CD1 :: 132.153 CD2 :: 132.153 CE1 :: 130.831 CE2 :: 130.831 CZ :: 129.425 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 :: 8.019 HA :: 3.696 HB2 :: 3.073 HB3 :: 3.411 HD1 :: 6.903 HD2 :: 6.903 HE1 :: 7.167 HE2 :: 7.167 HZ :: 7.028 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 :: 119.667 Ave N Shift Values>> N :: 120.45(4.18) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> CA :: 64.759 CB :: 38.018 CG1 :: 28.987 CG2 :: 17.771 CD1 :: 12.936 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 :: 8.102 HA :: 3.920 HB :: 2.077 HG12 :: 1.371 HG13 :: 1.897 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 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 :: 119.850 Ave N Shift Values>> N :: 121.46(4.28) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.39 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> CA :: 57.892 CB :: 41.965 CG :: 26.545 CD1 :: 23.944 CD2 :: 24.165 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 :: 7.827 HA :: 4.163 HB2 :: 1.773 HB3 :: 1.773 HG :: 1.390 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 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 :: 120.323 Ave N Shift Values>> N :: 121.86(3.9) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> CA :: 61.058 CB :: 39.700 CD1 :: 131.988 CD2 :: 131.988 CE1 :: 131.489 CE2 :: 131.489 CZ :: 130.006 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 :: 8.633 HA :: 4.172 HB2 :: 2.700 HB3 :: 2.700 HD1 :: 7.487 HD2 :: 7.487 HE1 :: 7.379 HE2 :: 7.379 HZ :: 7.283 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 :: 117.660 Ave N Shift Values>> N :: 120.45(4.18) 1.S17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.665 CB :: 64.012 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.416 HA :: 4.267 HB2 :: 2.973(S) HB3 :: 3.763 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 :: 114.306 Ave N Shift Values>> N :: 116.28(3.52) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.916 CB :: 61.754 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.058 HA :: 4.228 HB2 :: 4.047 HB3 :: 4.047 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 :: 116.898 Ave N Shift Values>> N :: 116.28(3.52) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 R 0.19 I 0.16 K 0.11 L 0.1 W 0.06 Q 0.06 H 0.03 E 0.02 C Shift Assignments>> CA :: 58.916 CB :: 26.356 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.827 HA :: 4.228 HB2 :: 3.073 HB3 :: 3.216 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 :: 115.698 Ave N Shift Values>> N :: 120.17(4.64) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.816 CB :: 64.371 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.959 HA :: 4.704 HB2 :: 3.921 HB3 :: 3.937 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 :: 115.037 Ave N Shift Values>> N :: 116.28(3.52) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.23 K 0.14 F 0.12 Y 0.09 C 0.06 N 0.06 R 0.02 C Shift Assignments>> CA :: 55.155 CB :: 41.257 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 :: 8.595 HA :: 4.701 HB2 :: 2.615 HB3 :: 2.615 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 :: 120.360 Ave N Shift Values>> N :: 120.65(3.86) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.33 C 0.25 C Shift Assignments>> CA :: 54.719 CB :: 31.587 CD2 :: 120.749 CE1 :: 137.508 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 :: 7.855 HA :: 5.376 HB2 :: 2.945 HB3 :: 3.101 HD2 :: 6.933 HE1 :: 8.246 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 :: 115.154 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.41 C Shift Assignments>> CA :: 58.643 CB :: 40.909 CG1 :: 28.436 CG2 :: 16.390 CD1 :: 14.536 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 :: 8.135 HA :: 4.331 HB :: 0.964 HG12 :: 1.115 HG13 :: 1.161 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 HD11 :: 0.152 HD12 :: 0.152 HD13 :: 0.152 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 :: 120.492 Ave N Shift Values>> N :: 121.46(4.28) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.38 M 0.12 K 0.02 I 0.02 Q 0.02 C Shift Assignments>> CA :: 56.390 CB :: 30.646 CG :: 36.779 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 :: 8.555 HA :: 4.235 HB2 :: 1.707 HB3 :: 2.158 HG2 :: 2.398 HG3 :: 2.449 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 :: 126.787 Ave N Shift Values>> N :: 120.67(3.48) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.35 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 58.393 CB :: 30.381 CG :: 31.231 CE :: 16.343 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 :: 8.902 HA :: 3.919 HB2 :: 1.933 HB3 :: 2.091 HG2 :: 2.088 HG3 :: 2.363 HE1 :: 1.872 HE2 :: 1.872 HE3 :: 1.872 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 :: 124.152 Ave N Shift Values>> N :: 120.09(3.57) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.43 C Shift Assignments>> CA :: 60.828 CB :: 36.120 CD1 :: 133.436 CD2 :: 133.436 CE1 :: 118.753 CE2 :: 118.753 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 :: 8.661 HA :: 4.264 HB2 :: 3.083 HB3 :: 3.186 HD1 :: 7.253 HD2 :: 7.253 HE1 :: 6.923 HE2 :: 6.923 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 :: 114.713 Ave N Shift Values>> N :: 120.52(4.2) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.38 K 0.36 R 0.23 C Shift Assignments>> CA :: 56.546 CB :: 31.183 CG :: 23.906 CD :: 28.066 CE :: 41.740 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 :: 6.504 HA :: 3.949 HB2 :: 1.628 HB3 :: 1.730 HG2 :: 0.891 HG3 :: 1.265 HD2 :: 1.650 HD3 :: 1.715 HE2 :: 2.973 HE3 :: 2.973 HZ1 :: 7.186(U) HZ2 :: 7.186(U) HZ3 :: 7.186(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 :: 121.290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> CA :: 60.759 CB :: 37.987 CD1 :: 131.436 CD2 :: 131.436 CE1 :: 131.802 CE2 :: 131.802 CZ :: 128.256 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 :: 8.352 HA :: 3.782 HB2 :: 2.675 HB3 :: 3.167 HD1 :: 6.806 HD2 :: 6.806 HE1 :: 7.093 HE2 :: 7.093 HZ :: 6.145 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 :: 123.314 Ave N Shift Values>> N :: 120.45(4.18) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 F 0.47 C Shift Assignments>> CA :: 59.185 CB :: 36.729 CD1 :: 130.922 CD2 :: 130.922 CE1 :: 131.465 CE2 :: 131.465 CZ :: 129.979 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 :: 7.958 HA :: 4.345 HB2 :: 3.177 HB3 :: 3.272 HD1 :: 7.393 HD2 :: 7.393 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.325 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 :: 117.427 Ave N Shift Values>> N :: 120.45(4.18) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.14 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> CA :: 59.614 CB :: 29.741 CG :: 36.139 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 :: 7.260 HA :: 4.055 HB3 :: 2.165 HG2 :: 2.264 HG3 :: 2.614 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 :: 120.305 Ave N Shift Values>> N :: 120.67(3.48) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.47 C Shift Assignments>> CA :: 57.194 CB :: 40.444 CG :: 26.111 CD1 :: 23.614 CD2 :: 26.035 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 :: 8.084 HA :: 2.819 HB2 :: 0.417(S) HB3 :: 1.418 HG :: -0.006(S) HD11 :: 0.376 HD12 :: 0.376 HD13 :: 0.376 HD21 :: -0.505(S) HD22 :: -0.505(S) HD23 :: -0.505(S) 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 :: 124.019 Ave N Shift Values>> N :: 121.86(3.9) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.32 A 0.06 C Shift Assignments>> CA :: 54.866 CB :: 29.679 CG :: 31.085 CE :: 14.915 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 :: 8.414 HA :: 4.172 HB2 :: 1.025 HB3 :: 1.766 HG2 :: 2.223 HG3 :: 2.466 HE1 :: 1.395 HE2 :: 1.395 HE3 :: 1.395 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 :: 118.921 Ave N Shift Values>> N :: 120.09(3.57) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.2 C 0.17 N 0.13 D 0.08 E 0.04 I 0.04 L 0.04 M 0.01 C Shift Assignments>> CA :: 56.120 CB :: 38.407 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 :: 8.135 HA :: 4.523 HB2 :: 2.837 HB3 :: 2.939 HD21 :: 7.855 HD22 :: 6.966 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 :: 120.286 ND2 :: 112.914 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.541 CB :: 62.445 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.001 HA :: 4.273 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 :: 118.281 Ave N Shift Values>> N :: 116.28(3.52) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> CA :: 59.058 CB :: 40.450 CD1 :: 132.851 CD2 :: 132.851 CE1 :: 131.465 CE2 :: 131.465 CZ :: 129.184 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 :: 7.387 HA :: 4.881 HB2 :: 2.817 HB3 :: 4.055 HD1 :: 7.589 HD2 :: 7.589 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.325 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 :: 118.466 Ave N Shift Values>> N :: 120.45(4.18) 1.G36 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>> CA :: 46.261 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.025 HA2 :: 3.788 HA3 :: 3.932 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.702 Ave N Shift Values>> N :: 109.67(3.87) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.754 CB :: 38.802 CG1 :: 27.313 CG2 :: 17.295 CD1 :: 14.403 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 :: 7.728 HA :: 4.047 HB :: 1.687 HG12 :: 0.851 HG13 :: 1.851 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 HD11 :: 0.975 HD12 :: 0.975 HD13 :: 0.975 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 :: 120.701 Ave N Shift Values>> N :: 121.46(4.28) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> CA :: 59.696 CB :: 39.918 CG1 :: 26.815 CG2 :: 17.283 CD1 :: 12.629 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 :: 8.500 HA :: 4.255 HB :: 1.725 HG12 :: 1.082 HG13 :: 1.432 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 128.287 Ave N Shift Values>> N :: 121.46(4.28) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 A 0.2 L 0.11 C 0.09 C Shift Assignments>> CA :: 52.821 CB :: 45.406 CG :: 26.718 CD1 :: 23.232 CD2 :: 21.656 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 :: 8.507 HA :: 4.899 HB2 :: 1.545 HB3 :: 1.770 HG :: 1.768 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.680 HD22 :: 0.680 HD23 :: 0.680 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 :: 125.657 Ave N Shift Values>> N :: 121.86(3.9) 1.T40 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>> CA :: 60.774 CB :: 70.854 CG2 :: 21.531 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 :: 9.254 HA :: 4.403 HB :: 4.726 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 113.253 Ave N Shift Values>> N :: 115.42(4.75) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 C 0.23 Y 0.18 F 0.12 M 0.06 N 0.05 I 0.05 K 0.01 D 0.01 C Shift Assignments>> CA :: 56.715 CB :: 37.132 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 :: 9.235 HA :: 4.327 HB2 :: 2.837 HB3 :: 2.837 HD21 :: 7.804 HD22 :: 7.094 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 :: 120.187 ND2 :: 113.197 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.1 I 0.05 N 0.03 K 0.02 C Shift Assignments>> CA :: 57.200 CB :: 40.013 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 :: 8.628 HA :: 4.400 HB2 :: 2.520 HB3 :: 2.617 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 :: 120.027 Ave N Shift Values>> N :: 120.65(3.86) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.32 I 0.09 M 0.05 C Shift Assignments>> CA :: 58.859 CB :: 30.824 CG :: 37.384 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 :: 7.728 HA :: 4.059 HB2 :: 2.000 HB3 :: 2.426 HG2 :: 2.294 HG3 :: 2.418 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 :: 120.868 Ave N Shift Values>> N :: 120.67(3.48) 1.K44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 K 0.24 R 0.16 HN Overlap>> 1.W56 1.W56 C Shift Assignments>> CA :: 59.770 CB :: 32.639 CG :: 26.884 CD :: 29.614 CE :: 41.568 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 :: 8.504 HA :: 3.937 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 1.179 HG3 :: 1.629 HD2 :: 1.404 HD3 :: 1.443 HE2 :: 2.287(S) HE3 :: 2.598 HZ1 :: 7.252(U) HZ2 :: 7.252(U) HZ3 :: 7.252(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 :: 120.051 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.34 C 0.01 C Shift Assignments>> CA :: 53.698 CB :: 18.036 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.730 HA :: 4.193 HB1 :: 1.514 HB2 :: 1.514 HB3 :: 1.514 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.928 Ave N Shift Values>> N :: 123.23(3.54) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> CA :: 51.391 CB :: 19.179 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.134 HA :: 4.426 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.009 Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.35 R 0.03 C Shift Assignments>> CA :: 53.563 CB :: 41.137 CG :: 26.448 CD1 :: 27.054 CD2 :: 26.113 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 :: 7.233 HA :: 4.313 HB2 :: 1.126 HB3 :: 1.793 HG :: 2.135 HD11 :: 1.066 HD12 :: 1.066 HD13 :: 1.066 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 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 :: 121.748 Ave N Shift Values>> N :: 121.86(3.9) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> CA :: 61.673 CB :: 31.706 CG :: 26.238 CD :: 49.727 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 :: 4.390 HB2 :: 1.703 HB3 :: 2.055 HG2 :: 1.082 HG3 :: 1.390 HD2 :: 2.811 HD3 :: 3.543 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.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.18 Y 0.12 F 0.12 C 0.11 L 0.06 E 0.01 I 0.01 C Shift Assignments>> CA :: 54.351 CB :: 38.846 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 :: 8.020 HA :: 4.353 HB2 :: 2.582 HB3 :: 2.647 HD21 :: 7.627 HD22 :: 6.967 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 :: 113.147 ND2 :: 113.431 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.2 L 0.19 F 0.05 K 0.05 C 0.05 Y 0.04 C Shift Assignments>> CA :: 52.659 CB :: 41.093 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 :: 7.537 HA :: 4.606 HB2 :: 2.229 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 :: 117.345 Ave N Shift Values>> N :: 120.65(3.86) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 61.995 CB :: 38.285 CG1 :: 27.367 CG2 :: 17.935 CD1 :: 12.320 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 :: 8.741 HA :: 3.512 HB :: 1.464 HG12 :: -0.022 HG13 :: 0.851 HG21 :: 0.521 HG22 :: 0.521 HG23 :: 0.521 HD11 :: -0.224 HD12 :: -0.224 HD13 :: -0.224 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 :: 125.300 Ave N Shift Values>> N :: 121.46(4.28) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.28 C 0.08 L 0.07 F 0.03 Y 0.02 C Shift Assignments>> CA :: 49.910 CB :: 40.253 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 :: 7.360 HA :: 5.334 HB2 :: 2.781 HB3 :: 3.361 HD21 :: 7.716 HD22 :: 6.894 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 :: 124.416 ND2 :: 111.418 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.42 A 0.02 C Shift Assignments>> CA :: 58.069 CB :: 31.351 CG :: 31.783 CE :: 18.141 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 :: 8.380 HA :: 2.994 HB2 :: 1.570 HB3 :: 1.788 HG2 :: 2.130 HG3 :: 2.444 HE1 :: 2.261 HE2 :: 2.261 HE3 :: 2.261 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 :: 119.864 Ave N Shift Values>> N :: 120.09(3.57) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.1 K 0.06 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.589 CB :: 40.488 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 :: 8.082 HA :: 4.181 HB2 :: 2.521 HB3 :: 2.521 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 :: 117.421 Ave N Shift Values>> N :: 120.65(3.86) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> CA :: 60.052 CB :: 38.119 CD1 :: 133.778 CD2 :: 133.778 CE1 :: 117.978 CE2 :: 117.978 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 :: 8.342 HA :: 4.146 HB2 :: 2.917 HB3 :: 3.166 HD1 :: 7.016 HD2 :: 7.016 HE1 :: 6.672 HE2 :: 6.672 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 :: 121.657 Ave N Shift Values>> N :: 120.52(4.2) 1.W56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.42 HN Overlap>> 1.K44 1.K44 C Shift Assignments>> CA :: 59.383 CB :: 30.239 CD1 :: 129.277 CE3 :: 123.883 CZ2 :: 114.121 CZ3 :: 119.583 CH2 :: 123.624 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 :: 8.415 HA :: 4.781 HB2 :: 3.405 HB3 :: 3.456 HD1 :: 7.156 HE1 :: 10.299 HE3 :: 7.745 HZ2 :: 6.921 HZ3 :: 6.686 HH2 :: 6.649 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 :: 120.100 NE1 :: 127.659 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.42 C Shift Assignments>> CA :: 58.097 CB :: 40.774 CG :: 26.396 CD1 :: 25.239 CD2 :: 23.357 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 :: 8.924 HA :: 3.162 HB2 :: 1.182 HB3 :: 1.756 HG :: 1.777 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 117.972 Ave N Shift Values>> N :: 121.86(3.9) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.16 N 0.1 D 0.1 L 0.05 I 0.04 E 0.02 M 0.01 C Shift Assignments>> CA :: 56.383 CB :: 38.799 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 :: 7.360 HA :: 4.180 HB2 :: 2.536 HB3 :: 2.647 HD21 :: 7.576 HD22 :: 6.934 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 :: 115.930 ND2 :: 111.596 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> CA :: 61.342 CB :: 40.019 CD1 :: 132.398 CD2 :: 132.398 CE1 :: 131.465 CE2 :: 131.465 CZ :: 129.979 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 :: 8.356 HA :: 3.988 HB2 :: 2.861 HB3 :: 3.399 HD1 :: 7.432 HD2 :: 7.432 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.325 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 :: 122.919 Ave N Shift Values>> N :: 120.45(4.18) 1.A60 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.62 I 0.28 A 0.06 C 0.02 C Shift Assignments>> CA :: 55.049 CB :: 13.809 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.305 HA :: 2.971 HB1 :: -1.241(A) HB2 :: -1.241(A) HB3 :: -1.241(A) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.083 Ave N Shift Values>> N :: 123.23(3.54) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.42 K 0.4 R 0.16 C Shift Assignments>> CA :: 58.916 CB :: 31.745 CG :: 25.196 CD :: 28.637 CE :: 42.067 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 :: 7.195 HA :: 4.228 HB3 :: 1.913 HG2 :: 1.546 HG3 :: 1.617 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 2.922 HE3 :: 2.980 HZ1 :: 7.262(U) HZ2 :: 7.262(U) HZ3 :: 7.262(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 :: 114.537 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> CA :: 57.530 CB :: 32.704 CG :: 24.561 CD :: 28.822 CE :: 41.819 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 :: 7.149 HA :: 4.037 HB2 :: 1.484 HB3 :: 1.570 HG2 :: 0.803 HG3 :: 1.115 HD2 :: 1.362 HD3 :: 1.430 HE2 :: 2.764 HE3 :: 2.764 HZ1 :: 7.343(U) HZ2 :: 7.343(U) HZ3 :: 7.343(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 :: 116.635 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.33 W 0.33 C 0.32 C Shift Assignments>> CA :: 57.150 CB :: 31.551 CD2 :: 121.627 CE1 :: 137.421 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 :: 7.526 HA :: 4.403 HB2 :: 3.010 HB3 :: 3.010 HD2 :: 6.248 HE1 :: 8.016 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 :: 113.845 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> CA :: 59.588 CB :: 38.103 CD1 :: 134.025 CD2 :: 134.025 CE1 :: 118.652 CE2 :: 118.652 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 :: 8.687 HA :: 3.993 HB2 :: 3.161 HB3 :: 3.308 HD1 :: 7.400 HD2 :: 7.400 HE1 :: 7.009 HE2 :: 7.009 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 :: 122.602 Ave N Shift Values>> N :: 120.52(4.2) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.13 D 0.05 Y 0.03 F 0.02 M 0.02 E 0.01 L 0.01 C Shift Assignments>> CA :: 51.451 CB :: 37.622 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 :: 7.648 HA :: 4.671 HB2 :: 2.535 HB3 :: 2.753 HD21 :: 7.601 HD22 :: 6.875 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 :: 124.708 ND2 :: 113.058 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> CA :: 56.275 CB :: 38.908 CD1 :: 133.004 CD2 :: 133.004 CE1 :: 118.857 CE2 :: 118.857 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 :: 8.071 HA :: 4.490 HB2 :: 2.909 HB3 :: 2.909 HD1 :: 6.531 HD2 :: 6.531 HE1 :: 6.971 HE2 :: 6.971 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 :: 121.784 Ave N Shift Values>> N :: 120.52(4.2) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.08 Q 0.05 M 0.05 I 0.04 C Shift Assignments>> CA :: 56.641 CB :: 29.713 CG :: 36.413 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 :: 8.151 HA :: 4.229 HB2 :: 1.969 HB3 :: 2.072 HG2 :: 2.208 HG3 :: 2.255 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 :: 119.133 Ave N Shift Values>> N :: 120.67(3.48) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 C 0.21 M 0.07 R 0.06 E 0.01 HN Overlap>> 1.L15 1.L15 C Shift Assignments>> CA :: 53.461 CB :: 28.936 CG :: 33.294 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 :: 7.752 HA :: 4.522 HB2 :: 1.897 HB3 :: 1.990 HG2 :: 2.278 HG3 :: 2.312 HE21 :: 7.552 HE22 :: 6.979 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 :: 120.337 NE2 :: 115.281 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.259 CB :: 31.850 CG :: 27.228 CD :: 50.271 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 :: 4.363 HB2 :: 1.732 HB3 :: 2.214 HG2 :: 1.930 HG3 :: 1.966 HD2 :: 3.583 HD3 :: 3.650 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.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> CA :: 57.666 CB :: 39.388 CD1 :: 132.045 CD2 :: 132.045 CE1 :: 131.465 CE2 :: 131.465 CZ :: 129.979 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 :: 8.277 HA :: 4.536 HB2 :: 3.027 HB3 :: 3.066 HD1 :: 7.237 HD2 :: 7.237 HE1 :: 7.326 HE2 :: 7.326 HZ :: 7.325 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 :: 120.428 Ave N Shift Values>> N :: 120.45(4.18) 1.K71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.53 C 0.41 R 0.05 C Shift Assignments>> CA :: 55.801 CB :: 33.139 CG :: 24.380 CD :: 29.635 CE :: 41.932 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 :: 8.035 HA :: 4.195 HB2 :: 1.606 HB3 :: 1.644 HG2 :: 1.239 HG3 :: 1.281 HD2 :: 1.583 HD3 :: 1.649 HE2 :: 2.924 HE3 :: 2.924 HZ1 :: 7.262(U) HZ2 :: 7.262(U) HZ3 :: 7.262(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 :: 124.330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.34 H 0.33 C 0.31 C Shift Assignments>> CA :: 57.666 CB :: 30.417 CD2 :: 120.092 CE1 :: 138.261 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 :: 8.298 HA :: 4.536 HB2 :: 3.032 HB3 :: 3.098 HD2 :: 7.095 HE1 :: 8.011 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 :: 120.638 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 60.885 CB :: 38.771 CG1 :: 26.815 CG2 :: 17.316 CD1 :: 12.766 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 :: 8.120 HA :: 4.133 HB :: 1.820 HG12 :: 1.082 HG13 :: 1.390 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 122.906 Ave N Shift Values>> N :: 121.46(4.28) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.17 L 0.15 F 0.13 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.744 CB :: 40.199 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 :: 8.099 HA :: 4.414 HB2 :: 2.631 HB3 :: 2.732 HD21 :: 7.577 HD22 :: 6.875 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 :: 127.865 ND2 :: 113.146 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 65 #Clerical: 5 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 74 #Suspicious: 0 C Shift Results: #Consistent: 290 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 538 #Duplicate: 0 #Unknown: 18 #Suspicious: 7 #Anomalous: 3 N Shift Results: #Consistent: 81 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K8 HZ1 = 7.351(U) 1.K8 HZ2 = 7.351(U) 1.K8 HZ3 = 7.351(U) 1.S17 HB2 = 2.973(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8563e-04 1.K27 HZ1 = 7.186(U) 1.K27 HZ2 = 7.186(U) 1.K27 HZ3 = 7.186(U) 1.L31 HB2 = 0.417(S), Expected = 1.61, Std = 0.3400, ChiSquare = 4.5009e-04 1.L31 HG = -0.006(S), Expected = 1.51, Std = 0.3300, ChiSquare = 4.3496e-06 1.L31 HD21 = -0.505(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0569e-05 1.L31 HD22 = -0.505(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0569e-05 1.L31 HD23 = -0.505(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.0569e-05 1.K44 HE2 = 2.287(S), Expected = 2.92, Std = 0.1900, ChiSquare = 8.6355e-04 1.K44 HZ1 = 7.252(U) 1.K44 HZ2 = 7.252(U) 1.K44 HZ3 = 7.252(U) 1.A60 HB1 = -1.241(A), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1604e-23 1.A60 HB2 = -1.241(A), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1604e-23 1.A60 HB3 = -1.241(A), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1604e-23 1.K61 HZ1 = 7.262(U) 1.K61 HZ2 = 7.262(U) 1.K61 HZ3 = 7.262(U) 1.K62 HZ1 = 7.343(U) 1.K62 HZ2 = 7.343(U) 1.K62 HZ3 = 7.343(U) 1.K71 HZ1 = 7.262(U) 1.K71 HZ2 = 7.262(U) 1.K71 HZ3 = 7.262(U)