Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.33 R 0.18 K 0.15 D 0.11 F 0.08 Y 0.05 C 0.03 I 0.01 G 0.01 C Shift Assignments>> C :: 168.239 CA :: 42.567 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.341 HA3 :: 3.752 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.1 R 0.09 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.662 CA :: 52.772 CB :: 42.313 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 :: 9.541 HA :: 4.775 HB2 :: 2.735 HB3 :: 2.370 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 :: 124.691 Ave N Shift Values>> N :: 120.65(3.86) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.302 CA :: 65.946 CB :: 31.965 CG1 :: 21.697 CG2 :: 21.577 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 :: 8.569 HA :: 3.550 HB :: 2.097 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 123.739 Ave N Shift Values>> N :: 121.14(4.54) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.16 K 0.1 Q 0.06 C Shift Assignments>> C :: 180.515 CA :: 58.963 CB :: 28.479 CG :: 35.918 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 :: 8.083 HA :: 4.008 HB2 :: 2.053 HB3 :: 2.021 HG2 :: 2.231 HG3 :: 2.208 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 :: 120.310 Ave N Shift Values>> N :: 120.67(3.48) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.4 R 0.1 HN Overlap>> 1.I58 1.I58 C Shift Assignments>> C :: 180.515 CA :: 59.459 CB :: 32.454 CG :: 26.024 CD :: 28.801 CE :: 41.739 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 :: 8.096 HA :: 3.899 HB2 :: 1.706 HB3 :: 1.706 HG2 :: 1.458 HG3 :: 1.304 HE2 :: 2.883 HE3 :: 2.883 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 :: 121.058 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.012 CA :: 46.479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.709 HA2 :: 3.478 HA3 :: 4.095 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.193 Ave N Shift Values>> N :: 109.67(3.87) 1.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.43 R 0.07 C Shift Assignments>> C :: 177.457 CA :: 59.052 CB :: 32.105 CG :: 24.023 CD :: 29.272 CE :: 41.814 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 :: 8.039 HA :: 2.160(S) HB2 :: 1.670 HB3 :: 1.324 HG2 :: 1.536 HG3 :: 1.536 HD2 :: 0.986 HD3 :: 0.986 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 :: 124.124 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.09 C Shift Assignments>> C :: 179.228 CA :: 59.322 CB :: 31.815 CG :: 25.179 CD :: 29.001 CE :: 41.830 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 :: 6.958 HA :: 3.815 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.531 HG3 :: 1.353 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.884 HE3 :: 2.884 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 :: 116.732 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.006 CA :: 65.105 CB :: 37.562 CG1 :: 28.101 CG2 :: 18.364 CD1 :: 14.027 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 :: 7.681 HA :: 3.719 HB :: 2.004 HG12 :: 1.810 HG13 :: 1.152 HG21 :: 1.064 HG22 :: 1.064 HG23 :: 1.064 HD11 :: 1.003 HD12 :: 1.003 HD13 :: 1.003 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 :: 119.269 Ave N Shift Values>> N :: 121.46(4.28) 1.F10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 Y 0.15 F 0.15 C 0.15 C Shift Assignments>> C :: 178.820 CA :: 62.164 CB :: 39.377 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 :: 8.635 HA :: 3.973 HB2 :: 3.005 HB3 :: 2.890 HD1 :: 7.076 HD2 :: 6.856 HE1 :: 6.027(S) HE2 :: 6.928 HZ :: 6.093 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 :: 120.908 Ave N Shift Values>> N :: 120.45(4.18) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.867 CA :: 65.622 CB :: 37.617 CG1 :: 28.669 CG2 :: 16.179 CD1 :: 12.748 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 :: 8.834 HA :: 3.316 HB :: 1.862 HG12 :: 1.773 HG13 :: 1.181 HG21 :: 0.804 HG22 :: 0.804 HG23 :: 0.804 HD11 :: 0.740 HD12 :: 0.740 HD13 :: 0.740 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 :: 121.053 Ave N Shift Values>> N :: 121.46(4.28) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 M 0.27 Q 0.2 E 0.06 K 0.04 C Shift Assignments>> C :: 177.972 CA :: 58.560 CB :: 33.675 CG :: 31.430 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 :: 8.047 HA :: 4.219 HB2 :: 2.250 HB3 :: 2.136 HG2 :: 2.731 HG3 :: 2.575 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 :: 117.328 Ave N Shift Values>> N :: 120.09(3.57) 1.K13 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.46 G 0.01 C Shift Assignments>> C :: 177.353 CA :: 57.260 CB :: 35.199 CG :: 29.458(S) CD :: 26.428 CE :: 42.303 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.016 HA :: 4.935 HB2 :: 2.399 HB3 :: 2.221 HG2 :: 1.908 HG3 :: 1.785 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 3.103 HE3 :: 3.069 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 :: 113.452 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.3 C 0.21 E 0.16 M 0.09 Y 0.08 F 0.05 D 0.02 K 0.02 C Shift Assignments>> C :: 177.723 CA :: 54.119 CB :: 36.784 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.130 HA :: 5.296 HB2 :: 1.756 HB3 :: 1.059(S) 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 :: 115.390 Ave N Shift Values>> N :: 120.17(4.64) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.272 CA :: 60.587 CB :: 62.483 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.297 HA :: 3.768 HB2 :: 3.860 HB3 :: 3.621 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 :: 114.347 Ave N Shift Values>> N :: 116.28(3.52) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.24 K 0.23 R 0.15 M 0.02 E 0.01 C Shift Assignments>> C :: 176.559 CA :: 57.938 CB :: 27.900 CG :: 33.202 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 :: 8.879 HA :: 3.909 HB2 :: 2.194 HB3 :: 1.939 HG2 :: 2.604 HG3 :: 2.444 HE21 :: 6.957 HE22 :: 7.559 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 :: 120.608 NE2 :: 111.391 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.45 C 0.13 D 0.11 Y 0.1 F 0.09 L 0.03 E 0.03 M 0.02 C Shift Assignments>> C :: 171.419 CA :: 53.967 CB :: 38.172 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.805 HA :: 4.084 HB2 :: 1.392(S) HB3 :: 0.427(S) 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 :: 112.857 Ave N Shift Values>> N :: 120.17(4.64) 1.H18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> M 0.23 C 0.16 H 0.14 R 0.13 K 0.12 W 0.08 Q 0.05 E 0.04 C Shift Assignments>> C :: 173.588 CA :: 53.514 CB :: 31.916 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 :: 6.223 HA :: 3.622 HB2 :: 0.996(S) HB3 :: 0.660(S) HD1 :: 9.464 HD2 :: 0.010(A) HE1 :: 0.381(A) 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 :: 113.603 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.68 C 0.29 A 0.01 C Shift Assignments>> C :: 174.026 CA :: 58.557 CB :: 71.176 CG2 :: 21.342 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.636 HA :: 4.413 HB :: 4.356 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 109.280 Ave N Shift Values>> N :: 115.42(4.75) 1.V20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.69 V 0.29 C Shift Assignments>> C :: 173.470 CA :: 60.794 CB :: 33.427 CG1 :: 21.700 CG2 :: 18.074 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 :: 7.675 HA :: 3.765 HB :: 1.426 HG11 :: -0.138(S) HG12 :: -0.138(S) HG13 :: -0.138(S) HG21 :: 0.278 HG22 :: 0.278 HG23 :: 0.278 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 :: 110.620 Ave N Shift Values>> N :: 121.14(4.54) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.34 C 0.27 Q 0.14 K 0.14 M 0.06 I 0.02 C Shift Assignments>> C :: 177.538 CA :: 56.452 CB :: 29.646 CG :: 35.631 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 :: 4.134 HB2 :: 1.752 HB3 :: 1.698 HG2 :: 2.066 HG3 :: 2.066 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.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.12 C Shift Assignments>> C :: 177.538 CA :: 57.749 CB :: 30.941 CG :: 24.010 CD :: 28.870 CE :: 41.566 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 :: 8.717 HA :: 3.052 HB2 :: 1.206 HB3 :: 0.425(S) HG2 :: 0.851 HG3 :: 0.686 HD2 :: 1.339 HD3 :: 1.339 HE2 :: 2.769 HE3 :: 2.769 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.123 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.531 CA :: 44.906 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.078 HA2 :: 3.441 HA3 :: 3.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.177 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.234 CA :: 44.146 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.730 HA2 :: 3.054 HA3 :: 3.713 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.042 Ave N Shift Values>> N :: 109.67(3.87) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.12 C Shift Assignments>> C :: 178.209 CA :: 55.712 CB :: 32.861 CG :: 24.281 CD :: 28.514 CE :: 41.714 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 :: 8.222 HA :: 3.833 HB2 :: 1.563 HB3 :: 1.379 HG2 :: 1.216 HG3 :: 1.216 HD2 :: 1.451 HD3 :: 1.451 HE2 :: 2.797 HE3 :: 2.797 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 :: 118.452 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.13 C 0.11 K 0.07 M 0.07 C Shift Assignments>> C :: 175.081 CA :: 55.813 CB :: 30.173 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 :: 8.545 HA :: 4.192 HB2 :: 2.969 HB3 :: 2.859 HD1 :: 6.948 HD2 :: 6.730 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 :: 122.465 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.41 R 0.08 C Shift Assignments>> C :: 175.781 CA :: 55.066 CB :: 30.731 CG :: 24.155 CD :: 29.035 CE :: 41.341 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 :: 7.439 HA :: 4.370 HB2 :: 1.671 HB3 :: 0.964 HG2 :: 0.954 HG3 :: 0.954 HD2 :: 1.235 HD3 :: 1.011 HE2 :: 2.386 HE3 :: 2.386 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.571 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 174.931 CA :: 67.083 CB :: 69.766 CG2 :: 22.205 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>> HA :: 4.017 HB :: 4.101 HG21 :: 1.917(S) HG22 :: 1.917(S) HG23 :: 1.917(S) 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) 1.G29 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.29 F 0.19 Y 0.13 L 0.13 I 0.07 K 0.06 N 0.05 C 0.04 C Shift Assignments>> C :: 169.328 CA :: 40.882(S) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.548 HA2 :: -0.072(A) HA3 :: 3.704 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.150 Ave N Shift Values>> N :: 109.67(3.87) 1.P30 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.89 P 0.08 G 0.02 C Shift Assignments>> CA :: 60.269 CB :: 31.020 CG :: 26.377 CD :: 48.500 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 :: 3.590 HB2 :: 1.230 HB3 :: 1.230 HG2 :: 0.733(S) HG3 :: 0.733(S) HD2 :: 2.540 HD3 :: 1.516(S) 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.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.26 F 0.12 L 0.12 Y 0.11 C 0.08 C Shift Assignments>> C :: 176.303 CA :: 54.344 CB :: 39.785 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 :: 10.198 HA :: 4.023 HB2 :: 2.013 HB3 :: 1.919 HD21 :: 7.325 HD22 :: 7.924 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>> ND2 :: 115.086 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.75 C 0.13 L 0.06 G 0.03 C Shift Assignments>> C :: 174.533 CA :: 53.287 CB :: 42.520 CG :: 24.726 CD1 :: 23.361 CD2 :: 20.335 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 :: 7.889 HA :: 3.867 HB2 :: 1.326 HB3 :: 0.997 HG :: 0.379(S) HD11 :: -0.869(S) HD12 :: -0.869(S) HD13 :: -0.869(S) HD21 :: -0.761(S) HD22 :: -0.761(S) HD23 :: -0.761(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 :: 121.653 Ave N Shift Values>> N :: 121.86(3.9) 1.H33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.21 W 0.12 K 0.07 R 0.06 E 0.06 Q 0.05 H 0.04 P 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 176.992 CA :: 60.491 CB :: 28.223 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 :: 7.445 HA :: 3.707 HB2 :: 2.822 HB3 :: 2.770 HE1 :: 7.285 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 :: 119.860 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.473 CA :: 45.713 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.763 HA2 :: 3.638 HA3 :: 3.847 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.645 Ave N Shift Values>> N :: 109.67(3.87) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.33 G 0.13 R 0.11 C Shift Assignments>> C :: 176.507 CA :: 57.459 CB :: 43.808 CG :: 26.652 CD1 :: 26.583 CD2 :: 23.869 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 :: 7.010 HA :: 3.527 HB2 :: 2.086 HB3 :: 1.456 HG :: 1.115 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.572 HD22 :: 0.572 HD23 :: 0.572 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 :: 117.774 Ave N Shift Values>> N :: 121.86(3.9) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.21 I 0.15 Y 0.12 F 0.06 M 0.03 V 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.553 CA :: 59.702 CB :: 36.223 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 :: 8.694 HA :: 3.848 HB2 :: 3.185 HB3 :: 2.770 HD1 :: 7.305 HD2 :: 7.305 HE1 :: 6.773 HE2 :: 6.773 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 :: 113.600 Ave N Shift Values>> N :: 120.45(4.18) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.382 CA :: 44.455 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.839 HA2 :: 3.432 HA3 :: 4.428 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.857 Ave N Shift Values>> N :: 109.67(3.87) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.43 R 0.09 C Shift Assignments>> C :: 174.415 CA :: 55.764 CB :: 32.411 CG :: 26.072 CD :: 45.037 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 :: 8.215 HA :: 4.449 HB2 :: 2.084 HB3 :: 2.084 HG2 :: 2.143 HG3 :: 1.833 HD2 :: 3.169 HD3 :: 3.080 HE :: 6.230 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 :: 124.035 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.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.36 R 0.08 C Shift Assignments>> C :: 172.219 CA :: 55.199 CB :: 33.682 CG :: 25.303 CD :: 29.200 CE :: 41.608 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 :: 8.147 HA :: 4.847 HB2 :: 1.670 HB3 :: 1.475 HG2 :: 1.322 HG3 :: 1.322 HD2 :: 1.503 HD3 :: 1.503 HE2 :: 2.799 HE3 :: 2.799 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 :: 123.290 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 175.638 CA :: 61.920 CB :: 68.539 CG2 :: 22.233 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.804 HA :: 4.463 HB :: 4.214 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 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 :: 113.158 Ave N Shift Values>> N :: 115.42(4.75) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.720 CA :: 46.409 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.040 HA2 :: 3.591 HA3 :: 3.700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.811 Ave N Shift Values>> N :: 109.67(3.87) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.28 C 0.21 M 0.05 R 0.05 E 0.04 C Shift Assignments>> C :: 175.152 CA :: 54.615 CB :: 28.977 CG :: 33.733 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 :: 8.084 HA :: 4.354 HB2 :: 2.181 HB3 :: 1.832 HG2 :: 2.206 HG3 :: 2.145 HE21 :: 6.783 HE22 :: 7.470 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 :: 117.180 NE2 :: 112.579 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 0.93 M 0.05 C 0.01 C Shift Assignments>> C :: 175.308 CA :: 49.991 CB :: 18.488 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.063 HA :: 4.536 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.825 Ave N Shift Values>> N :: 123.23(3.54) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 178.294 CA :: 63.456 CB :: 31.514 CG :: 27.383 CD :: 50.659 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 :: 4.356 HB2 :: 1.870 HB3 :: 2.147 HG2 :: 1.934 HG3 :: 2.064 HD2 :: 3.658 HD3 :: 3.949 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.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.301 CA :: 45.350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.831 HA2 :: 3.723 HA3 :: 4.098 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.024 Ave N Shift Values>> N :: 109.67(3.87) 1.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.08 L 0.06 N 0.02 C Shift Assignments>> C :: 174.910 CA :: 57.515 CB :: 39.539 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 :: 7.661 HA :: 4.192 HB2 :: 2.720 HB3 :: 2.720 HD1 :: 6.744 HD2 :: 6.744 HE1 :: 6.704 HE2 :: 6.704 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 :: 120.307 Ave N Shift Values>> N :: 120.52(4.2) 1.S47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 6.579 HA :: 4.151 HB2 :: 3.486 HB3 :: 3.486 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) 1.CMF48 Overall Status: Residue type CMF not supported. 1.T49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.235 CA :: 61.555 CB :: 70.660 CG2 :: 21.696 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>> HA :: 4.330 HB :: 4.445 HG21 :: 1.377 HG22 :: 1.377 HG23 :: 1.377 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) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.01 I 0.01 C Shift Assignments>> C :: 178.430 CA :: 53.813 CB :: 17.942 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.507 HA :: 4.166 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.381 Ave N Shift Values>> N :: 123.23(3.54) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.62 M 0.34 C 0.01 I 0.01 C Shift Assignments>> C :: 178.634 CA :: 53.932 CB :: 18.249 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.993 HB1 :: 1.253 HB2 :: 1.253 HB3 :: 1.253 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.2 D 0.17 N 0.15 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 176.255 CA :: 55.769 CB :: 39.253 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 :: 8.286 HA :: 4.329 HB2 :: 2.949 HB3 :: 2.825 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 :: 117.178 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 177.676 CA :: 58.402 CB :: 32.296 CG :: 24.108 CD :: 29.089 CE :: 41.778 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 :: 8.152 HA :: 3.728 HB2 :: 1.813 HB3 :: 1.742 HG2 :: 1.444 HG3 :: 1.444 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.839 HE3 :: 2.839 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 :: 120.164 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.12 D 0.1 Y 0.08 F 0.07 L 0.02 E 0.02 M 0.02 C Shift Assignments>> C :: 175.501 CA :: 53.488 CB :: 38.101 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 :: 8.553 HA :: 4.389 HB2 :: 2.685 HB3 :: 2.685 HD21 :: 6.854 HD22 :: 7.423 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 :: 116.286 ND2 :: 111.964 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.48 C Shift Assignments>> C :: 177.422 CA :: 56.818 CB :: 31.536 CG :: 24.386 CD :: 28.097 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 :: 7.634 HA :: 4.032 HB2 :: 1.858 HB3 :: 1.646 HG2 :: 1.516 HG3 :: 1.516 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 :: 121.354 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.052 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.748 HA3 :: 3.637 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 173.923 CA :: 58.621 CB :: 38.366 CG1 :: 27.181 CG2 :: 17.095 CD1 :: 12.910 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>> HA :: 4.042 HB :: 1.471 HG12 :: 0.752 HG13 :: 0.806 HG21 :: 0.306 HG22 :: 0.306 HG23 :: 0.306 HD11 :: -0.363(S) HD12 :: -0.363(S) HD13 :: -0.363(S) 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) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> C :: 177.495 CA :: 58.867 CB :: 38.504 CG1 :: 27.350 CG2 :: 17.084 CD1 :: 12.387 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 :: 7.988 HA :: 4.082 HB :: 1.491 HG12 :: 1.351 HG13 :: 0.834 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 HD11 :: 0.616 HD12 :: 0.616 HD13 :: 0.616 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 :: 121.053 Ave N Shift Values>> N :: 121.46(4.28) 1.W59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.13 R 0.13 Q 0.13 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 175.793 CA :: 57.229 CB :: 29.908 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 :: 8.931 HA :: 4.829 HB2 :: 3.739 HB3 :: 2.438 HD1 :: 6.889 HE1 :: 10.179 HE3 :: 7.472 HZ2 :: 6.956 HZ3 :: 6.532 HH2 :: 5.578(S) 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 :: 130.896 NE1 :: 127.918 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.636 CA :: 44.214 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.839 HA2 :: 3.832 HA3 :: 4.110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.218 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>> I 0.53 C 0.36 E 0.09 C Shift Assignments>> C :: 177.011 CA :: 62.088 CB :: 29.364 CG :: 37.068 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.619 HA :: 3.858 HB2 :: 2.113 HB3 :: 2.113 HG2 :: 2.376 HG3 :: 2.306 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 :: 120.606 Ave N Shift Values>> N :: 120.67(3.48) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 L 0.07 I 0.07 N 0.04 C Shift Assignments>> C :: 179.228 CA :: 57.208 CB :: 39.477 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 :: 8.396 HA :: 4.334 HB2 :: 2.705 HB3 :: 2.626 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 :: 114.943 Ave N Shift Values>> N :: 120.65(3.86) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 177.971 CA :: 63.601 CB :: 68.918 CG2 :: 23.584 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 :: 8.246 HA :: 4.116 HB :: 4.339 HG21 :: 1.276 HG22 :: 1.276 HG23 :: 1.276 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 :: 112.857 Ave N Shift Values>> N :: 115.42(4.75) 1.L64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.56 C 0.4 R 0.01 G 0.01 C Shift Assignments>> C :: 178.628 CA :: 58.314 CB :: 42.355 CG :: 26.849 CD1 :: 24.353 CD2 :: 24.438 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 :: 8.809 HA :: 4.233 HB2 :: 1.991 HB3 :: 1.156 HG :: 0.373(S) HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 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 :: 121.355 Ave N Shift Values>> N :: 121.86(3.9) 1.M65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.3 Q 0.13 K 0.11 C Shift Assignments>> C :: 177.782 CA :: 57.910 CB :: 31.019 CG :: 32.089 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 :: 7.934 HA :: 3.896 HB2 :: 2.356 HB3 :: 2.031 HG2 :: 2.766 HG3 :: 2.542 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 :: 118.519 Ave N Shift Values>> N :: 120.09(3.57) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.33 K 0.1 Q 0.08 I 0.06 M 0.04 C Shift Assignments>> C :: 178.928 CA :: 58.103 CB :: 29.676 CG :: 35.887 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 :: 6.795 HA :: 3.958 HB2 :: 1.590 HB3 :: 1.453 HG2 :: 1.874 HG3 :: 1.853 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 :: 117.027 Ave N Shift Values>> N :: 120.67(3.48) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 I 0.23 C 0.14 L 0.02 K 0.01 D 0.01 C Shift Assignments>> C :: 176.312 CA :: 59.911 CB :: 40.118 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 :: 8.170 HA :: 3.501 HB2 :: 3.216 HB3 :: 2.562 HD1 :: 7.091 HD2 :: 7.091 HE1 :: 6.536 HE2 :: 6.536 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 :: 120.608 Ave N Shift Values>> N :: 120.52(4.2) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.28 A 0.27 C Shift Assignments>> C :: 176.652 CA :: 55.211 CB :: 41.188 CG :: 25.795 CD1 :: 21.682 CD2 :: 21.583 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 :: 8.108 HA :: 2.986 HB2 :: 1.588 HB3 :: 0.983 HG :: 0.967 HD11 :: 0.215 HD12 :: 0.215 HD13 :: 0.215 HD21 :: 0.215 HD22 :: 0.215 HD23 :: 0.215 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 :: 109.278 Ave N Shift Values>> N :: 121.86(3.9) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 176.033 CA :: 58.526 CB :: 29.549 CG :: 36.287 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 :: 6.783 HA :: 3.860 HB2 :: 1.920 HB3 :: 1.607 HG2 :: 2.016 HG3 :: 2.075 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 :: 119.118 Ave N Shift Values>> N :: 120.67(3.48) 1.N70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> N 0.61 C 0.19 M 0.05 E 0.03 Y 0.03 D 0.02 F 0.02 C Shift Assignments>> C :: 172.247 CA :: 51.365 CB :: 36.797 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 :: 6.092(S) HA :: 4.131 HB2 :: 2.682 HB3 :: 2.682 HD21 :: 6.570 HD22 :: 7.660 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 :: 105.553(S) ND2 :: 111.664 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.5 C 0.43 G 0.05 C Shift Assignments>> C :: 176.414 CA :: 65.672 CB :: 29.935 CG :: 26.324 CD :: 48.776 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 :: 3.517 HB2 :: 0.786(S) HB3 :: 0.277(S) HG2 :: 0.605(S) HG3 :: -0.006(S) HD2 :: 2.971 HD3 :: 2.674 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.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.44 R 0.09 C Shift Assignments>> C :: 177.234 CA :: 57.046 CB :: 31.565 CG :: 24.417 CD :: 29.146 CE :: 41.563 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 :: 7.457 HA :: 3.715 HB2 :: 1.507 HB3 :: 1.398 HG2 :: 1.158 HG3 :: 1.084 HD2 :: 1.383 HD3 :: 1.383 HE2 :: 2.701 HE3 :: 2.701 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 :: 113.454 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 R 0.07 C Shift Assignments>> C :: 176.890 CA :: 57.407 CB :: 32.899 CG :: 24.651 CD :: 29.202 CE :: 41.769 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 :: 6.855 HA :: 3.790 HB2 :: 1.461 HB3 :: 1.461 HG2 :: 1.199 HG3 :: 1.199 HD2 :: 1.515 HD3 :: 1.515 HE2 :: 2.713 HE3 :: 2.713 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 :: 118.522 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.35 Y 0.23 F 0.23 C 0.15 C Shift Assignments>> C :: 175.794 CA :: 60.721 CB :: 39.536 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 :: 7.219 HA :: 4.231 HB2 :: 3.113 HB3 :: 3.001 HD1 :: 7.105 HD2 :: 7.105 HE1 :: 6.507 HE2 :: 6.507 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 :: 118.674 Ave N Shift Values>> N :: 120.52(4.2) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 A 0.01 C Shift Assignments>> C :: 179.773 CA :: 58.474 CB :: 37.615 CG1 :: 27.194 CG2 :: 17.807 CD1 :: 12.517 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 :: 8.189 HA :: 4.067 HB :: 1.770 HG12 :: 0.627 HG13 :: 0.627 HG21 :: 0.603 HG22 :: 0.603 HG23 :: 0.603 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 114.346 Ave N Shift Values>> N :: 121.46(4.28) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 178.583 CA :: 64.021 CB :: 31.137 CG :: 27.154 CD :: 49.303 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 :: 4.477 HB2 :: 2.110 HB3 :: 1.622 HG2 :: 1.846 HG3 :: 1.777 HD2 :: 3.330 HD3 :: 3.129 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.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.26 R 0.17 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 174.866 CA :: 44.314 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.563 HA2 :: 3.721 HA3 :: 3.852 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.831 Ave N Shift Values>> N :: 109.67(3.87) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 C 0.35 S 0.05 C Shift Assignments>> C :: 173.114 CA :: 61.759 CB :: 67.910 CG2 :: 18.913 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.922 HA :: 4.226 HB :: 4.167 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.541 Ave N Shift Values>> N :: 115.42(4.75) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.48 C 0.34 R 0.15 C Shift Assignments>> C :: 175.845 CA :: 55.526 CB :: 32.303 CG :: 24.902 CD :: 29.109 CE :: 42.195 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>> HA :: 4.381 HB2 :: 2.131 HB3 :: 2.072 HG2 :: 1.784 HG3 :: 1.605 HD2 :: 1.876 HD3 :: 1.792 HE2 :: 3.440 HE3 :: 3.233 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) 1.M80 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.2 L 0.17 Q 0.14 C 0.12 H 0.09 K 0.08 W 0.08 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 171.833 CA :: 55.863 CB :: 27.552 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 :: 7.384 HA :: 2.934 HB2 :: -0.261(S) HB3 :: -2.814(A) HG2 :: -2.050(A) HG3 :: -3.750(A) HE1 :: -3.429(A) HE2 :: -3.429(A) HE3 :: -3.429(A) 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 :: 123.515 Ave N Shift Values>> N :: 120.09(3.57) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.12 C Shift Assignments>> C :: 173.220 CA :: 59.285 CB :: 34.612 CG1 :: 26.036 CG2 :: 16.961 CD1 :: 10.665 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 :: 7.856 HA :: 3.485 HB :: 1.961 HG12 :: 1.348 HG13 :: 1.118 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 HD11 :: 0.618 HD12 :: 0.618 HD13 :: 0.618 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 :: 130.146 Ave N Shift Values>> N :: 121.46(4.28) 1.F82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.21 Y 0.18 D 0.17 L 0.16 C 0.09 K 0.08 N 0.03 I 0.02 C Shift Assignments>> C :: 174.333 CA :: 56.578 CB :: 40.644 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 :: 6.529 HA :: 4.327 HB2 :: 2.022 HB3 :: 0.423(S) HD1 :: 6.580 HD2 :: 6.580 HE1 :: 7.276 HE2 :: 7.276 HZ :: 7.106 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 :: 123.143 Ave N Shift Values>> N :: 120.45(4.18) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 174.444 CA :: 64.273 CB :: 31.352 CG1 :: 19.775 CG2 :: 19.675 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 :: 7.739 HA :: 3.286 HB :: 1.673 HG11 :: 0.613 HG12 :: 0.613 HG13 :: 0.613 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 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 :: 125.079 Ave N Shift Values>> N :: 121.14(4.54) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.31 R 0.29 K 0.1 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.113 CA :: 42.836 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 2.851 HA3 :: 4.194 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 175.103 CA :: 59.390 CB :: 39.528 CG1 :: 26.889 CG2 :: 18.367 CD1 :: 14.053 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 :: 8.327 HA :: 4.136 HB :: 1.356 HG12 :: 1.616 HG13 :: 1.174 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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 :: 120.758 Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.45 R 0.05 C Shift Assignments>> C :: 178.442 CA :: 58.619 CB :: 32.343 CG :: 24.348 CD :: 29.648 CE :: 41.883 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 :: 8.518 HA :: 3.972 HB2 :: 1.699 HB3 :: 1.699 HE2 :: 2.831 HE3 :: 2.831 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 :: 127.466 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.42 R 0.11 C Shift Assignments>> C :: 177.569 CA :: 56.865 CB :: 32.531 CG :: 25.344 CD :: 29.020 CE :: 41.848 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 :: 8.368 HA :: 4.247 HB2 :: 1.789 HB3 :: 1.674 HG2 :: 1.539 HG3 :: 1.391 HD2 :: 1.641 HD3 :: 1.641 HE2 :: 2.913 HE3 :: 2.913 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 :: 120.309 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.45 R 0.03 C Shift Assignments>> C :: 177.664 CA :: 60.314 CB :: 32.083 CG :: 24.802 CD :: 29.271 CE :: 41.650 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.151 HA :: 3.562 HB2 :: 1.781 HB3 :: 1.699 HG2 :: 1.321 HG3 :: 1.321 HD2 :: 1.538 HD3 :: 1.538 HE2 :: 2.857 HE3 :: 2.857 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 :: 129.999 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.28 I 0.26 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.911 CA :: 59.760 CB :: 28.814 CG :: 36.428 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.462 HA :: 3.899 HB2 :: 1.920 HB3 :: 1.920 HG2 :: 2.320 HG3 :: 2.253 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 :: 117.925 Ave N Shift Values>> N :: 120.67(3.48) 1.E90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 E 0.39 I 0.11 M 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 178.730 CA :: 58.277 CB :: 29.990 CG :: 36.943 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 :: 6.347(S) HA :: 4.198 HB2 :: 1.999 HB3 :: 1.919 HG2 :: 2.316 HG3 :: 2.253 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.437 Ave N Shift Values>> N :: 120.67(3.48) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 G 0.25 R 0.05 K 0.02 C Shift Assignments>> C :: 177.430 CA :: 61.182 CB :: 31.106 CG :: 29.904 CD :: 43.817 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 :: 7.423 HA :: 3.740 HB2 :: 2.083 HB3 :: 1.830 HG2 :: 1.706 HG3 :: 1.180 HD2 :: 3.266 HD3 :: 3.179 HE :: 6.206 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.405 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.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.29 I 0.04 C 0.02 C Shift Assignments>> C :: 181.044 CA :: 55.281 CB :: 17.539 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.668 HA :: 3.970 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.161 Ave N Shift Values>> N :: 123.23(3.54) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.11 L 0.05 D 0.05 N 0.01 C Shift Assignments>> C :: 177.634 CA :: 58.147 CB :: 39.552 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 :: 8.153 HA :: 4.208 HB2 :: 2.604 HB3 :: 2.604 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 :: 122.101 Ave N Shift Values>> N :: 120.65(3.86) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.23 K 0.11 L 0.1 C Shift Assignments>> C :: 178.395 CA :: 58.295 CB :: 41.711 CG :: 28.716 CD1 :: 27.558 CD2 :: 24.198 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 :: 8.183 HA :: 4.205 HB2 :: 2.250 HB3 :: 1.746 HG :: 1.415 HD11 :: 1.001 HD12 :: 1.001 HD13 :: 1.001 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 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 :: 121.208 Ave N Shift Values>> N :: 121.86(3.9) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 176.351 CA :: 66.222 CB :: 37.668 CG1 :: 31.889 CG2 :: 17.883 CD1 :: 14.288 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 :: 8.974 HA :: 3.609 HB :: 1.955 HG12 :: 1.884 HG13 :: 0.956 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 120.159 Ave N Shift Values>> N :: 121.46(4.28) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.27 I 0.03 C 0.01 C Shift Assignments>> C :: 180.700 CA :: 54.933 CB :: 16.970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.974 HA :: 4.026 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.001 Ave N Shift Values>> N :: 123.23(3.54) 1.Y97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.4 C 0.27 Y 0.12 F 0.08 E 0.06 V 0.03 C Shift Assignments>> C :: 176.278 CA :: 61.456 CB :: 36.943 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 :: 8.089 HA :: 4.197 HB2 :: 3.582 HB3 :: 3.044 HD1 :: 7.040 HD2 :: 6.491 HE1 :: 6.599 HE2 :: 5.457(S) 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 :: 118.224 Ave N Shift Values>> N :: 120.52(4.2) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.42 R 0.01 A 0.01 C Shift Assignments>> C :: 179.188 CA :: 57.650 CB :: 41.645 CG :: 25.694 CD1 :: 25.508 CD2 :: 22.455 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 :: 8.982 HA :: 3.334 HB2 :: 2.216 HB3 :: 1.264 HG :: 2.106 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 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 :: 119.118 Ave N Shift Values>> N :: 121.86(3.9) 1.K99 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.07 C Shift Assignments>> C :: 176.653 CA :: 59.190 CB :: 31.869 CG :: 24.548 CD :: 29.179 CE :: 41.722 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 :: 8.945 HA :: 2.549(S) HB2 :: 1.482 HB3 :: 1.249 HG2 :: 0.712 HG3 :: 0.246(S) HD2 :: 1.233 HD3 :: 1.180 HE2 :: 2.631 HE3 :: 2.631 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 :: 123.889 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.47 R 0.03 C Shift Assignments>> C :: 178.363 CA :: 57.655 CB :: 33.175 CG :: 24.236 CD :: 29.587 CE :: 41.733 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 :: 6.724 HA :: 3.976 HB2 :: 1.673 HB3 :: 1.642 HG2 :: 1.261 HG3 :: 1.119 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.885 HE3 :: 2.885 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 :: 116.726 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.56 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 179.576 CA :: 54.401 CB :: 18.353 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.539 HA :: 3.795 HB1 :: 0.460(S) HB2 :: 0.460(S) HB3 :: 0.460(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.416 Ave N Shift Values>> N :: 123.23(3.54) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 172.872 CA :: 61.954 CB :: 69.403 CG2 :: 21.945 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.810 HA :: 4.157 HB :: 4.625 HG21 :: 0.896 HG22 :: 0.896 HG23 :: 0.896 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 :: 101.974 Ave N Shift Values>> N :: 115.42(4.75) 1.N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.17 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.663 CA :: 52.469 CB :: 41.376 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 :: 6.968 HA :: 4.767 HB2 :: 2.714 HB3 :: 2.387 HD21 :: 6.404 HD22 :: 7.807 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 :: 118.372 ND2 :: 114.098 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.15 Q 0.06 K 0.03 I 0.02 C Shift Assignments>> C :: 180.562 CA :: 57.673 CB :: 30.937 CG :: 35.972 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 :: 7.157 HA :: 4.135 HB2 :: 1.886 HB3 :: 1.810 HG2 :: 2.169 HG3 :: 2.169 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 :: 124.633 Ave N Shift Values>> N :: 120.67(3.48) 2.HEM1 Overall Status: Residue type HEM not supported. ########################################################################### Overall Results: #Consistent: 80 #Clerical: 0 #Suspicious: 20 #Anomalous: 2 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 1 C Shift Results: #Consistent: 421 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 672 #Duplicate: 0 #Unknown: 0 #Suspicious: 43 #Anomalous: 9 N Shift Results: #Consistent: 94 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K7 HA = 2.160(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6231e-06 1.F10 HE1 = 6.027(S), Expected = 7.08, Std = 0.3100, ChiSquare = 6.8185e-04 1.K13 Typing: Suspicious 1.K13 CG = 29.458(S), Expected = 24.89, Std = 1.1300, ChiSquare = 5.2889e-05 1.C14 HB3 = 1.059(S), Expected = 2.89, Std = 0.4600, ChiSquare = 6.8789e-05 1.C17 HB2 = 1.392(S), Expected = 2.96, Std = 0.4400, ChiSquare = 3.6575e-04 1.C17 HB3 = 0.427(S), Expected = 2.89, Std = 0.4600, ChiSquare = 8.5866e-08 1.H18 HB2 = 0.996(S), Expected = 3.10, Std = 0.3600, ChiSquare = 5.0826e-09 1.H18 HB3 = 0.660(S), Expected = 3.04, Std = 0.3800, ChiSquare = 3.7726e-10 1.H18 HD2 = 0.010(A), Expected = 7.00, Std = 0.4300, ChiSquare = 2.0315e-59 1.H18 HE1 = 0.381(A), Expected = 7.95, Std = 0.4800, ChiSquare = 5.1050e-56 1.V20 HG11 = -0.138(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9681e-04 1.V20 HG12 = -0.138(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9681e-04 1.V20 HG13 = -0.138(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.9681e-04 1.K22 HB3 = 0.425(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.1139e-06 1.T28 HG21 = 1.917(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2946e-04 1.T28 HG22 = 1.917(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2946e-04 1.T28 HG23 = 1.917(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.2946e-04 1.G29 Typing: Mistyped 1.G29 CA = 40.882(S), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5506e-04 1.G29 HA2 = -0.072(A), Expected = 3.97, Std = 0.3700, ChiSquare = 8.8194e-28 1.P30 HG2 = 0.733(S), Expected = 1.93, Std = 0.3100, ChiSquare = 1.1279e-04 1.P30 HG3 = 0.733(S), Expected = 1.90, Std = 0.3300, ChiSquare = 4.0568e-04 1.P30 HD3 = 1.516(S), Expected = 3.61, Std = 0.3900, ChiSquare = 7.9073e-08 1.L32 HG = 0.379(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.0968e-04 1.L32 HD11 = -0.869(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3755e-09 1.L32 HD12 = -0.869(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3755e-09 1.L32 HD13 = -0.869(S), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3755e-09 1.L32 HD21 = -0.761(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7273e-07 1.L32 HD22 = -0.761(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7273e-07 1.L32 HD23 = -0.761(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.7273e-07 1.I57 HD11 = -0.363(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.2246e-04 1.I57 HD12 = -0.363(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.2246e-04 1.I57 HD13 = -0.363(S), Expected = 0.68, Std = 0.2900, ChiSquare = 3.2246e-04 1.W59 HH2 = 5.578(S), Expected = 6.98, Std = 0.3900, ChiSquare = 3.2455e-04 1.L64 HG = 0.373(S), Expected = 1.51, Std = 0.3300, ChiSquare = 5.7010e-04 1.N70 H = 6.092(S), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5937e-04 1.N70 N = 105.553(S), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0226e-04 1.P71 HB2 = 0.786(S), Expected = 2.08, Std = 0.3500, ChiSquare = 2.1804e-04 1.P71 HB3 = 0.277(S), Expected = 2.00, Std = 0.3600, ChiSquare = 1.7004e-06 1.P71 HG2 = 0.605(S), Expected = 1.93, Std = 0.3100, ChiSquare = 1.9183e-05 1.P71 HG3 = -0.006(S), Expected = 1.90, Std = 0.3300, ChiSquare = 7.6608e-09 1.M80 HB2 = -0.261(S), Expected = 2.03, Std = 0.3400, ChiSquare = 1.6032e-11 1.M80 HB3 = -2.814(A), Expected = 1.99, Std = 0.3400, ChiSquare = 2.5023e-45 1.M80 HG2 = -2.050(A), Expected = 2.42, Std = 0.3500, ChiSquare = 2.3677e-37 1.M80 HG3 = -3.750(A), Expected = 2.39, Std = 0.3800, ChiSquare = 9.9916e-59 1.M80 HE1 = -3.429(A), Expected = 1.89, Std = 0.4600, ChiSquare = 6.3420e-31 1.M80 HE2 = -3.429(A), Expected = 1.89, Std = 0.4600, ChiSquare = 6.3420e-31 1.M80 HE3 = -3.429(A), Expected = 1.89, Std = 0.4600, ChiSquare = 6.3420e-31 1.F82 HB3 = 0.423(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.6689e-10 1.E90 H = 6.347(S), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7656e-04 1.Y97 HE2 = 5.457(S), Expected = 6.71, Std = 0.2300, ChiSquare = 5.0989e-08 1.K99 HA = 2.549(S), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1776e-05 1.K99 HG3 = 0.246(S), Expected = 1.35, Std = 0.2800, ChiSquare = 8.0517e-05 1.K99 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K99 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.A101 HB1 = 0.460(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1917e-04 1.A101 HB2 = 0.460(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1917e-04 1.A101 HB3 = 0.460(S), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1917e-04