Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.597 CA :: 62.448 CB :: 32.819 CG1 :: 20.967 CG2 :: 21.212 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>> HA :: 4.232 HB :: 2.096 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 H1 :: 8.025(U) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.012 Ave N Shift Values>> N :: 121.14(4.54) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.968 CA :: 62.085 CB :: 69.758 CG2 :: 21.676 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 :: 8.300 HA :: 4.309 HB :: 4.190 HG1 :: 4.021 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 116.941 Ave N Shift Values>> N :: 115.42(4.75) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.933 CA :: 45.291 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.420 HA2 :: 3.943 HA3 :: 3.947 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.249 Ave N Shift Values>> N :: 109.67(3.87) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.707 CA :: 54.429 CB :: 41.302 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 :: 8.271 HA :: 4.598 HB2 :: 2.599 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 :: 120.415 Ave N Shift Values>> N :: 120.65(3.86) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.D128 1.D128 C Shift Assignments>> C :: 174.315 CA :: 61.914 CB :: 69.681 CG2 :: 21.614 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 :: 8.118 HA :: 4.289 HB :: 4.253 HG1 :: 1.146 HG21 :: 1.145 HG22 :: 1.145 HG23 :: 1.145 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 :: 113.071 Ave N Shift Values>> N :: 115.42(4.75) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.S127 1.S127 1.D19 1.D19 C Shift Assignments>> C :: 175.588 CA :: 54.340 CB :: 41.303 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 :: 8.283 HA :: 4.590 HB2 :: 2.583 HB3 :: 2.587 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 :: 122.415 Ave N Shift Values>> N :: 120.65(3.86) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.26 C 0.22 M 0.06 E 0.04 R 0.03 HN Overlap>> 1.G51 1.G51 C Shift Assignments>> C :: 175.196 CA :: 53.410 CB :: 29.202 CG :: 33.811 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 :: 8.122 HA :: 4.503 HB2 :: 1.904 HB3 :: 1.937 HG2 :: 2.332 HG3 :: 2.338 HE21 :: 6.883 HE22 :: 7.605 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.575 NE2 :: 112.435 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 175.947 CA :: 62.283 CB :: 32.688 CG :: 27.084 CD :: 50.466 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 :: 4.424 HB2 :: 1.569 HB3 :: 1.881 HG2 :: 1.885 HG3 :: 1.895 HD2 :: 3.640 HD3 :: 3.651 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.I9 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>> C :: 174.091 CA :: 61.559 CB :: 39.173 CG1 :: 26.882 CG2 :: 17.872 CD1 :: 14.019 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 :: 8.215 HA :: 4.082 HB :: 1.748 HG12 :: 1.011 HG13 :: 1.338 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 119.467 Ave N Shift Values>> N :: 121.46(4.28) 1.H10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> H 0.51 C 0.48 C Shift Assignments>> C :: 174.760 CA :: 56.026 CB :: 32.280 CD2 :: 118.264 CE1 :: 137.779 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 :: 8.685 HA :: 5.352 HB2 :: 2.962 HB3 :: 3.164 HD1 :: 9.918 HD2 :: 6.797 HE1 :: 7.637 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 :: 128.938 ND1 :: 122.096(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.46 C Shift Assignments>> C :: 174.770 CA :: 60.206 CB :: 41.644 CG1 :: 28.613 CG2 :: 17.287 CD1 :: 14.991 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 :: 8.944 HA :: 4.950 HB :: 1.100 HG12 :: 0.776 HG13 :: 1.374 HG21 :: -0.017 HG22 :: -0.017 HG23 :: -0.017 HD11 :: 0.290 HD12 :: 0.290 HD13 :: 0.290 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 :: 124.576 Ave N Shift Values>> N :: 121.46(4.28) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.18 E 0.07 C Shift Assignments>> C :: 175.084 CA :: 53.954 CB :: 33.981 CG :: 36.639 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 :: 8.485 HA :: 5.390 HB2 :: 1.733 HB3 :: 1.958 HG2 :: 1.726 HG3 :: 2.172 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 :: 127.699 Ave N Shift Values>> N :: 120.67(3.48) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.15 C Shift Assignments>> C :: 172.965 CA :: 58.072 CB :: 67.793 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.866 HA :: 4.899 HB2 :: 3.951 HB3 :: 4.363 HG :: 4.817 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 :: 116.164 Ave N Shift Values>> N :: 116.28(3.52) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.21 Y 0.17 L 0.13 C 0.09 D 0.07 I 0.04 R 0.03 C Shift Assignments>> C :: 176.479 CA :: 57.972 CB :: 41.476 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 :: 8.918 HA :: 5.000 HB2 :: 2.935 HB3 :: 3.024 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 :: 121.163 Ave N Shift Values>> N :: 120.65(3.86) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.33 Q 0.13 E 0.03 C Shift Assignments>> C :: 175.382 CA :: 55.083 CB :: 32.610 CG :: 33.802 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 :: 8.568 HA :: 4.842 HB2 :: 2.014 HB3 :: 2.046 HG2 :: 2.331 HG3 :: 2.334 HE21 :: 6.958 HE22 :: 7.611 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 :: 114.927 NE2 :: 113.427 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.27 Q 0.22 K 0.05 E 0.01 C Shift Assignments>> C :: 173.861 CA :: 54.728 CB :: 31.384 CG :: 33.038 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 :: 8.653 HA :: 5.002 HB2 :: 1.540 HB3 :: 1.792 HG2 :: 1.795 HG3 :: 2.471 HE21 :: 6.568 HE22 :: 7.113 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 :: 124.126 NE2 :: 111.350 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.739 CA :: 57.891 CB :: 64.517 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.443 HA :: 4.368 HB2 :: 3.589 HB3 :: 3.591 HG :: 4.751 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.413 Ave N Shift Values>> N :: 116.28(3.52) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.27 C 0.23 R 0.02 HN Overlap>> 1.N41 1.A125 1.N41 1.A125 C Shift Assignments>> C :: 175.866 CA :: 54.952 CB :: 44.449 CG :: 27.468 CD1 :: 24.722 CD2 :: 24.935 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 :: 8.502 HA :: 4.473 HB2 :: 1.399 HB3 :: 1.621 HG :: 1.526 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 125.406 Ave N Shift Values>> N :: 121.86(3.9) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 K 0.11 N 0.09 F 0.05 R 0.04 C 0.04 Y 0.03 HN Overlap>> 1.S127 1.D6 1.S127 1.D6 C Shift Assignments>> C :: 174.095 CA :: 53.143 CB :: 41.818 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 :: 8.257 HA :: 4.738 HB2 :: 2.499 HB3 :: 2.720 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 :: 122.474 Ave N Shift Values>> N :: 120.65(3.86) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 M 0.14 HN Overlap>> 1.V78 1.V78 1.Y101 1.Y101 C Shift Assignments>> C :: 177.185 CA :: 56.664 CB :: 30.469 CG :: 30.378 CE :: 13.992 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 :: 8.531 HA :: 4.217 HB2 :: 2.068 HB3 :: 2.078 HG2 :: 2.069 HG3 :: 2.074 HE1 :: 0.650 HE2 :: 0.650 HE3 :: 0.650 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 :: 122.596 Ave N Shift Values>> N :: 120.09(3.57) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 R 0.04 M 0.03 C Shift Assignments>> C :: 176.271 CA :: 56.855 CB :: 28.961 CG :: 33.912 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 :: 8.392 HA :: 3.920 HB2 :: 2.084 HB3 :: 2.112 HG2 :: 2.339 HG3 :: 2.347 HE21 :: 6.892 HE22 :: 7.607 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.174 NE2 :: 112.407 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 1.G75 1.G75 C Shift Assignments>> C :: 173.722 CA :: 45.581 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.083 HA2 :: 3.830 HA3 :: 4.302 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.119 Ave N Shift Values>> N :: 109.67(3.87) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.17 Y 0.12 F 0.12 C 0.11 L 0.06 I 0.01 E 0.01 C Shift Assignments>> C :: 173.457 CA :: 54.412 CB :: 38.848 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 :: 8.163 HA :: 4.588 HB2 :: 2.873 HB3 :: 3.168 HD21 :: 6.948 HD22 :: 7.445 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 :: 115.552 ND2 :: 113.247 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.681 CA :: 61.388 CB :: 34.928 CG1 :: 21.525 CG2 :: 21.763 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 :: 7.550 HA :: 4.802 HB :: 1.693 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.757 HG22 :: 0.757 HG23 :: 0.757 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 :: 118.182 Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> CA :: 60.177 CB :: 33.683 CG1 :: 20.154 CG2 :: 22.307 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 :: 8.774 HA :: 4.347 HB :: 1.498 HG11 :: 0.349 HG12 :: 0.349 HG13 :: 0.349 HG21 :: 0.214 HG22 :: 0.214 HG23 :: 0.214 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 :: 126.403 Ave N Shift Values>> N :: 121.14(4.54) 1.T26 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 :: 172.413 CA :: 61.708 CB :: 70.287 CG2 :: 21.499 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 :: 7.992 HA :: 4.886 HB :: 3.649 HG1 :: 8.417 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 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 :: 120.733 Ave N Shift Values>> N :: 115.42(4.75) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 G 0.01 C Shift Assignments>> C :: 174.904 CA :: 56.107 CB :: 41.832 CD1 :: 130.730 CD2 :: 133.305 CE1 :: 129.034 CE2 :: 130.632 CZ :: 129.099 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.665 HA :: 5.078 HB2 :: 2.699 HB3 :: 3.161 HD1 :: 6.848 HD2 :: 6.848 HE1 :: 6.480 HE2 :: 6.480 HZ :: 6.869 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 :: 125.950 Ave N Shift Values>> N :: 120.45(4.18) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.55 C 0.44 C Shift Assignments>> C :: 174.114 CA :: 60.386 CB :: 72.748 CG2 :: 22.177 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 :: 8.369 HA :: 5.202 HB :: 4.252 HG1 :: 0.795 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 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 :: 112.328 Ave N Shift Values>> N :: 115.42(4.75) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 173.214 CA :: 46.931 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.328 HA2 :: 3.694 HA3 :: 4.328 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.254 Ave N Shift Values>> N :: 109.67(3.87) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.16 Y 0.1 F 0.08 E 0.07 D 0.06 M 0.04 L 0.01 C Shift Assignments>> C :: 173.870 CA :: 54.012 CB :: 37.555 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 :: 9.684 HA :: 4.322 HB2 :: 2.582 HB3 :: 2.882 HD21 :: 6.747 HD22 :: 7.735 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 :: 124.878 ND2 :: 111.934 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 177.185 CA :: 62.872 CB :: 31.779 CG1 :: 20.888 CG2 :: 23.653 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 :: 8.603 HA :: 4.379 HB :: 1.948 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 120.331 Ave N Shift Values>> N :: 121.14(4.54) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 176.052 CA :: 60.945 CB :: 40.657 CG1 :: 26.953 CG2 :: 17.379 CD1 :: 13.776 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 :: 9.044 HA :: 4.873 HB :: 1.699 HG12 :: 0.936 HG13 :: 1.402 HG21 :: 0.751 HG22 :: 0.751 HG23 :: 0.751 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 127.918 Ave N Shift Values>> N :: 121.46(4.28) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.907 CA :: 60.170 CB :: 33.737 CG1 :: 20.727 CG2 :: 20.906 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.639 HA :: 4.943 HB :: 2.132 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 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 :: 130.629 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.343 CA :: 61.312 CB :: 70.476 CG2 :: 21.710 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 :: 9.916 HA :: 5.087 HB :: 4.110 HG1 :: 5.435 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 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 :: 122.099 Ave N Shift Values>> N :: 115.42(4.75) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.21 R 0.17 G 0.1 C Shift Assignments>> C :: 176.468 CA :: 53.522 CB :: 43.223 CG :: 27.133 CD1 :: 25.728 CD2 :: 26.589 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 :: 8.701 HA :: 4.788 HB2 :: 1.307 HB3 :: 1.601 HG :: 1.560 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 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 :: 127.754 Ave N Shift Values>> N :: 121.86(3.9) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 175.581 CA :: 47.558 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.201 HA2 :: 3.610 HA3 :: 4.102 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.435 Ave N Shift Values>> N :: 109.67(3.87) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 174.483 CA :: 62.105 CB :: 69.186 CG2 :: 22.165 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 :: 8.579 HA :: 4.259 HB :: 4.705 HG1 :: 2.011 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.395 Ave N Shift Values>> N :: 115.42(4.75) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 174.997 CA :: 61.064 CB :: 39.679 CG1 :: 28.777 CG2 :: 17.418 CD1 :: 14.157 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 :: 8.133 HA :: 4.701 HB :: 2.030 HG12 :: 0.802 HG13 :: 1.754 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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 :: 123.665 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 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 :: 176.259 CA :: 54.571 CB :: 36.116 CG :: 24.707 CD :: 29.237 CE :: 41.797 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 :: 9.054 HA :: 5.460 HB2 :: 1.555 HB3 :: 1.587 HG2 :: 1.260 HG3 :: 1.267 HD2 :: 1.474 HD3 :: 1.526 HE2 :: 2.715 HE3 :: 2.752 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 :: 126.990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.14 G 0.13 C Shift Assignments>> C :: 174.014 CA :: 59.393 CB :: 43.377 CG1 :: 28.177 CG2 :: 15.729 CD1 :: 13.516 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 :: 9.365 HA :: 5.111 HB :: 1.456 HG12 :: 1.212 HG13 :: 1.526 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 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 :: 126.625 Ave N Shift Values>> N :: 121.46(4.28) 1.N41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.35 L 0.12 C 0.06 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.A125 1.L18 1.A125 1.L18 C Shift Assignments>> C :: 173.497 CA :: 51.637 CB :: 40.582 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 :: 8.466 HA :: 5.776 HB2 :: 2.680 HB3 :: 2.927 HD21 :: 6.636 HD22 :: 7.173 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.366 ND2 :: 110.682 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.27 C 0.09 HN Overlap>> 1.Q104 1.Y101 1.Q104 1.Y101 C Shift Assignments>> C :: 174.630 CA :: 51.379 CB :: 22.110 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.645 HA :: 4.848 HB1 :: 1.292 HB2 :: 1.292 HB3 :: 1.292 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.724 Ave N Shift Values>> N :: 123.23(3.54) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 R 0.13 F 0.13 D 0.09 Y 0.09 C 0.06 I 0.01 HN Overlap>> 1.N108 1.N108 C Shift Assignments>> C :: 176.217 CA :: 56.940 CB :: 42.178 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 :: 8.434 HA :: 4.931 HB2 :: 2.812 HB3 :: 2.868 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 :: 118.533 Ave N Shift Values>> N :: 120.65(3.86) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.09 C Shift Assignments>> C :: 174.433 CA :: 55.034 CB :: 35.826 CG :: 24.862 CD :: 29.345 CE :: 41.757 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 :: 8.006 HA :: 5.318 HB2 :: 1.591 HB3 :: 1.772 HG2 :: 0.802 HG3 :: 1.062 HD2 :: 1.339 HD3 :: 1.405 HE2 :: 2.522 HE3 :: 2.626 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 :: 119.041 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.13 C Shift Assignments>> C :: 173.101 CA :: 60.248 CB :: 36.846 CG1 :: 22.063 CG2 :: 23.307 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.725 HA :: 5.478 HB :: 1.922 HG11 :: 1.293 HG12 :: 1.293 HG13 :: 1.293 HG21 :: 0.853 HG22 :: 0.853 HG23 :: 0.853 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 :: 126.886 Ave N Shift Values>> N :: 121.14(4.54) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.471 CA :: 61.037 CB :: 34.695 CG1 :: 21.361 CG2 :: 21.507 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.718 HA :: 4.873 HB :: 2.195 HG11 :: 1.104 HG12 :: 1.104 HG13 :: 1.104 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 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 :: 128.675 Ave N Shift Values>> N :: 121.14(4.54) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.476 CA :: 60.908 CB :: 32.963 CG1 :: 21.147 CG2 :: 22.024 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.526 HA :: 5.231 HB :: 2.080 HG11 :: 0.869 HG12 :: 0.869 HG13 :: 0.869 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 129.260 Ave N Shift Values>> N :: 121.14(4.54) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> 1.D73 1.D73 C Shift Assignments>> C :: 173.713 CA :: 61.013 CB :: 71.106 CG2 :: 21.568 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 :: 8.858 HA :: 5.026 HB :: 3.908 HG1 :: 2.036 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 121.612 Ave N Shift Values>> N :: 115.42(4.75) 1.R49 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.22 G 0.18 K 0.17 C Shift Assignments>> C :: 172.471 CA :: 53.448 CB :: 31.529 CG :: 24.881 CD :: 43.466 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 :: 8.583 HA :: 4.770 HB2 :: 1.671 HB3 :: 1.832 HG2 :: 0.796 HG3 :: 1.100 HD2 :: 3.157 HD3 :: 3.840 HE :: 4.468(S) 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 :: 125.121 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HE > HA : 0.9911) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.262 CA :: 63.937 CB :: 31.563 CG :: 27.600 CD :: 51.099 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 :: 4.258 HB2 :: 1.901 HB3 :: 2.260 HG2 :: 2.102 HG3 :: 2.135 HD2 :: 3.600 HD3 :: 3.625 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.G51 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 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 174.672 CA :: 45.901 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.121 HA2 :: 3.694 HA3 :: 4.275 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 121.530 Ave N Shift Values>> N :: 109.67(3.87) 1.G52 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 :: 174.145 CA :: 45.846 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.560 HA2 :: 3.553 HA3 :: 4.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.801 Ave N Shift Values>> N :: 109.67(3.87) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 K 0.09 Q 0.07 M 0.06 I 0.03 C Shift Assignments>> C :: 174.930 CA :: 56.659 CB :: 29.867 CG :: 36.151 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 :: 7.337 HA :: 4.049 HB2 :: 1.805 HB3 :: 1.827 HG2 :: 2.009 HG3 :: 2.043 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 :: 120.667 Ave N Shift Values>> N :: 120.67(3.48) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.24 M 0.22 C Shift Assignments>> C :: 177.241 CA :: 56.675 CB :: 32.740 CG :: 36.579 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 :: 8.487 HA :: 4.239 HB2 :: 1.713 HB3 :: 1.839 HG2 :: 2.168 HG3 :: 2.175 HE21 :: 6.699 HE22 :: 7.284 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 :: 125.196 NE2 :: 109.301 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.512 CA :: 45.383 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.347 HA2 :: 3.909 HA3 :: 4.260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.816 Ave N Shift Values>> N :: 109.67(3.87) 1.K56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.97 K 0.01 HN Overlap>> 1.A82 1.E57 1.T115 1.A82 1.E57 1.T115 C Shift Assignments>> C :: 175.586 CA :: 54.322 CB :: 33.881 CG :: 24.895 CD :: 29.129 CE :: 38.880(S) 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 :: 8.774 HA :: 4.597 HB2 :: 1.690 HB3 :: 2.005 HG2 :: 1.077 HG3 :: 1.089 HD2 :: 1.859 HD3 :: 2.408(S) HE2 :: 2.887 HE3 :: 3.157 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 :: 118.168 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 I 0.17 E 0.12 K 0.11 H 0.09 R 0.09 Q 0.08 V 0.04 M 0.01 HN Overlap>> 1.K56 1.A82 1.K56 1.A82 1.T115 1.T115 C Shift Assignments>> C :: 176.269 CA :: 60.100 CB :: 29.393 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 :: 8.775 HA :: 4.500 HB2 :: 1.385 HB3 :: 2.075 HG2 :: 2.177 HG3 :: 2.210 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 :: 118.232 Ave N Shift Values>> N :: 120.67(3.48) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 174.403 CA :: 60.923 CB :: 35.271 CG1 :: 21.337 CG2 :: 21.412 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 :: 8.774 HA :: 4.554 HB :: 1.930 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.280 Ave N Shift Values>> N :: 121.14(4.54) 1.I59 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 :: 174.019 CA :: 60.422 CB :: 41.297 CG1 :: 27.572 CG2 :: 17.312 CD1 :: 14.323 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 :: 8.715 HA :: 4.681 HB :: 1.798 HG12 :: 0.965 HG13 :: 1.545 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 124.383 Ave N Shift Values>> N :: 121.46(4.28) 1.D60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.73 L 0.17 C 0.03 R 0.02 D 0.02 HN Overlap>> 1.Y116 1.Y116 C Shift Assignments>> C :: 174.668 CA :: 53.653 CB :: 45.163 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 :: 9.134 HA :: 5.971(S) HB2 :: 2.414 HB3 :: 2.622 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 :: 126.723 Ave N Shift Values>> N :: 120.65(3.86) 1.G61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.3 L 0.3 G 0.2 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.715 CA :: 43.879 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.463 HA2 :: 2.924 HA3 :: 5.461(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.655 Ave N Shift Values>> N :: 109.67(3.87) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 Y 0.41 C Shift Assignments>> C :: 175.652 CA :: 56.455 CB :: 41.213 CD1 :: 133.860 CE1 :: 120.212 CE2 :: 117.648 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 :: 9.115 HA :: 5.532 HB2 :: 2.893 HB3 :: 3.322 HD1 :: 7.115 HD2 :: 7.115 HE1 :: 6.630 HE2 :: 6.630 HH :: 6.631 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 :: 120.321 Ave N Shift Values>> N :: 120.52(4.2) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 170.516 CA :: 45.609 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.914 HA2 :: 3.856 HA3 :: 4.564 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.255 Ave N Shift Values>> N :: 109.67(3.87) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.27 R 0.08 G 0.01 C Shift Assignments>> C :: 173.817 CA :: 53.319 CB :: 32.960 CG :: 24.647 CD :: 29.139 CE :: 42.097 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 :: 8.693 HA :: 4.940 HB2 :: 1.694 HB3 :: 1.862 HG2 :: 1.386 HG3 :: 1.411 HD2 :: 1.643 HD3 :: 1.656 HE2 :: 2.942 HE3 :: 2.990 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 :: 118.764 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.92 A 0.06 C Shift Assignments>> C :: 178.377 CA :: 62.977 CB :: 33.367 CG :: 23.130(S) CD :: 50.258 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 :: 4.415 HB2 :: 2.296 HB3 :: 2.430 HG2 :: 1.465 HG3 :: 1.480 HD2 :: 3.349 HD3 :: 3.400 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.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 177.353 CA :: 52.139 CB :: 18.699 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.509 HA :: 4.836 HB1 :: 1.260 HB2 :: 1.260 HB3 :: 1.260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.900 Ave N Shift Values>> N :: 123.23(3.54) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 172.385 CA :: 60.631 CB :: 71.969 CG2 :: 21.583 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 :: 9.104 HA :: 5.301 HB :: 4.483 HG1 :: 2.935 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 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 :: 109.343 Ave N Shift Values>> N :: 115.42(4.75) 1.F68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.52 G 0.27 C 0.19 C Shift Assignments>> C :: 172.624 CA :: 56.575 CB :: 43.679 CD1 :: 131.122 CD2 :: 131.061 CE1 :: 131.677 CE2 :: 131.052 CZ :: 131.084 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 :: 8.775 HA :: 5.068 HB2 :: 2.368 HB3 :: 3.025 HD1 :: 6.779 HD2 :: 6.779 HE1 :: 6.718 HE2 :: 6.718 HZ :: 5.394(S) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.706 Ave N Shift Values>> N :: 120.45(4.18) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.24 G 0.13 HN Overlap>> 1.L117 1.L117 C Shift Assignments>> C :: 172.600 CA :: 56.702 CB :: 43.153 CD1 :: 133.162 CE1 :: 117.914 CE2 :: 118.003 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 :: 8.243 HA :: 5.029 HB2 :: 2.892 HB3 :: 3.119 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.659 HE2 :: 6.659 HH :: 6.546 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 :: 129.606 Ave N Shift Values>> N :: 120.52(4.2) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.36 E 0.11 Q 0.07 C Shift Assignments>> C :: 175.477 CA :: 54.470 CB :: 32.714 CG :: 35.078 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 :: 8.403 HA :: 4.766 HB2 :: 1.560 HB3 :: 2.110 HG2 :: 2.119 HG3 :: 2.434 HE21 :: 7.265 HE22 :: 8.430 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 :: 125.781 NE2 :: 109.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.35 A 0.27 C Shift Assignments>> C :: 173.897 CA :: 54.378 CB :: 31.901 CG :: 33.884 CE :: 16.750 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 :: 7.811 HA :: 4.582 HB2 :: 2.622 HB3 :: 2.624 HG2 :: 2.013 HG3 :: 2.063 HE1 :: 2.010 HE2 :: 2.010 HE3 :: 2.010 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 :: 125.435 Ave N Shift Values>> N :: 120.09(3.57) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 M 0.25 Q 0.16 K 0.04 C Shift Assignments>> C :: 176.982 CA :: 55.635 CB :: 31.005 CG :: 35.156 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 :: 7.816 HA :: 4.406 HB2 :: 2.176 HB3 :: 2.179 HG2 :: 2.095 HG3 :: 2.457 HE21 :: 6.913 HE22 :: 7.114 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 :: 124.605 NE2 :: 110.954 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 D 0.18 L 0.14 C 0.1 N 0.05 K 0.04 I 0.03 HN Overlap>> 1.T48 1.T48 C Shift Assignments>> C :: 176.326 CA :: 56.394 CB :: 40.295 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 :: 8.894 HA :: 4.296 HB2 :: 2.635 HB3 :: 2.667 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 :: 121.710 Ave N Shift Values>> N :: 120.65(3.86) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.14 Y 0.05 D 0.05 F 0.04 E 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 176.272 CA :: 52.781 CB :: 37.461 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 :: 7.854 HA :: 4.504 HB2 :: 2.781 HB3 :: 3.076 HD21 :: 6.582 HD22 :: 7.449 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 :: 115.099 ND2 :: 108.997 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G75 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 HN Overlap>> 1.G22 1.G22 C Shift Assignments>> C :: 173.777 CA :: 45.664 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.083 HA2 :: 3.909 HA3 :: 4.028 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.058 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 C 0.26 R 0.08 G 0.01 C Shift Assignments>> C :: 177.715 CA :: 52.842 CB :: 32.725 CG :: 24.792 CD :: 29.124 CE :: 42.054 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 :: 7.658 HA :: 4.758 HB2 :: 1.737 HB3 :: 1.736 HG2 :: 1.279 HG3 :: 1.280 HD2 :: 1.410 HD3 :: 1.614 HE2 :: 2.942 HE3 :: 2.947 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 :: 120.536 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.171 CA :: 62.515 CB :: 32.652 CG :: 26.912 CD :: 50.566 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 :: 4.930 HB2 :: 1.560 HB3 :: 1.576 HG2 :: 2.023 HG3 :: 2.066 HD2 :: 3.710 HD3 :: 3.745 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.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 175.806 CA :: 61.264 CB :: 34.355 CG1 :: 20.881 CG2 :: 21.511 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 :: 8.544 HA :: 4.554 HB :: 1.871 HG11 :: 0.571 HG12 :: 0.571 HG13 :: 0.571 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 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 :: 122.489 Ave N Shift Values>> N :: 121.14(4.54) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.08 E 0.04 C Shift Assignments>> C :: 174.927 CA :: 54.168 CB :: 34.489 CG :: 37.046 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 :: 8.249 HA :: 5.409 HB2 :: 2.032 HB3 :: 2.156 HG2 :: 2.139 HG3 :: 2.265 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.604 Ave N Shift Values>> N :: 120.67(3.48) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.147 CA :: 46.125 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.184 HA2 :: 4.149 HA3 :: 4.770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.906 Ave N Shift Values>> N :: 109.67(3.87) 1.H81 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Anomalous PRTL>> H 0.56 C 0.43 C Shift Assignments>> C :: 172.091 CA :: 55.105 CB :: 32.420 CD2 :: 120.312 CE1 :: 137.779 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 :: 9.040 HA :: 5.490 HB2 :: 3.113 HB3 :: 3.338 HD1 :: 1.790(A) HD2 :: 7.116 HE1 :: 7.636 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 :: 115.847 ND1 :: 122.681(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 A 0.16 C 0.13 K 0.07 HN Overlap>> 1.K56 1.K56 1.E57 1.T115 1.E57 1.T115 C Shift Assignments>> C :: 175.892 CA :: 52.295 CB :: 23.153 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.719 HA :: 4.703 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.239 Ave N Shift Values>> N :: 123.23(3.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.191 CA :: 61.890 CB :: 63.480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.193 HA :: 4.936 HB2 :: 4.272 HB3 :: 4.323 HG :: 3.660 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.146 Ave N Shift Values>> N :: 116.28(3.52) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.26 Q 0.19 E 0.05 K 0.01 HN Overlap>> 1.T37 1.T37 C Shift Assignments>> C :: 174.176 CA :: 54.174 CB :: 31.822 CG :: 33.978 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 :: 8.651 HA :: 5.326 HB2 :: 1.856 HB3 :: 2.011 HG2 :: 2.018 HG3 :: 2.259 HE21 :: 6.733 HE22 :: 7.379 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.410 NE2 :: 111.668 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 A 0.42 M 0.01 C Shift Assignments>> C :: 174.072 CA :: 53.271 CB :: 35.717 CG :: 32.499 CE :: 22.074 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 :: 8.993 HA :: 5.231 HB2 :: 1.595 HB3 :: 1.595 HG2 :: 2.300 HG3 :: 2.316 HE1 :: 0.793 HE2 :: 0.793 HE3 :: 0.793 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.870 Ave N Shift Values>> N :: 120.09(3.57) 1.H86 Overall: Anomalous Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.99 C Shift Assignments>> C :: 172.480 CA :: 54.680 CB :: 31.404 CD2 :: 136.773(S) CE1 :: 128.471(S) 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 :: 8.860 HA :: 5.696 HB2 :: 3.124 HB3 :: 3.158 HD1 :: 7.549 HD2 :: 6.801 HE1 :: 6.525 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 :: 123.895 ND1 :: 122.906(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (CE1 > CD2 : 0.9917) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.75 C 0.24 C Shift Assignments>> C :: 173.835 CA :: 54.210 CB :: 40.705 CD1 :: 133.137 CD2 :: 131.486 CE1 :: 117.784 CE2 :: 119.897 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 :: 9.596 HA :: 5.398 HB2 :: 2.517 HB3 :: 3.057 HD1 :: 6.714 HD2 :: 6.714 HE1 :: 6.542 HE2 :: 6.542 HH :: 6.955 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 :: 129.370 Ave N Shift Values>> N :: 120.52(4.2) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 C 0.22 E 0.06 R 0.04 M 0.03 C Shift Assignments>> C :: 175.374 CA :: 55.067 CB :: 28.876 CG :: 33.979 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 :: 8.416 HA :: 4.406 HB2 :: 1.545 HB3 :: 2.098 HG2 :: 2.036 HG3 :: 2.365 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 :: 127.144 Ave N Shift Values>> N :: 120.67(3.48) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 L 0.14 R 0.07 C Shift Assignments>> C :: 179.503 CA :: 59.206 CB :: 41.614 CG :: 29.180 CD1 :: 24.609 CD2 :: 24.971 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 :: 7.451 HA :: 3.652 HB2 :: 1.595 HB3 :: 1.624 HG :: 1.526 HD11 :: 0.640 HD12 :: 0.640 HD13 :: 0.640 HD21 :: 0.601 HD22 :: 0.601 HD23 :: 0.601 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 :: 127.484 Ave N Shift Values>> N :: 121.86(3.9) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 178.837 CA :: 54.582 CB :: 18.499 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.597 HA :: 4.096 HB1 :: 1.458 HB2 :: 1.458 HB3 :: 1.458 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.235 Ave N Shift Values>> N :: 123.23(3.54) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.36 C Shift Assignments>> CA :: 54.978 CB :: 34.593 CG :: 24.878 CD :: 28.928 CE :: 40.283 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 :: 6.967 HA :: 4.368 HB2 :: 1.475 HB3 :: 1.818 HG2 :: 1.261 HG3 :: 1.268 HD2 :: 1.525 HD3 :: 1.590 HE2 :: 2.857 HE3 :: 2.858 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 :: 112.821 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.18 F 0.16 Y 0.14 N 0.08 C 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 174.075 CA :: 55.551 CB :: 40.540 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 :: 7.822 HA :: 4.406 HB2 :: 2.601 HB3 :: 3.064 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 :: 117.492 Ave N Shift Values>> N :: 120.65(3.86) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 F 0.28 C 0.24 C Shift Assignments>> CA :: 55.699 CB :: 43.783 CD1 :: 133.171 CD2 :: 131.334 CE1 :: 131.667 CE2 :: 131.686 CZ :: 131.660 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 :: 7.035 HA :: 5.472 HB2 :: 2.860 HB3 :: 2.926 HD1 :: 7.010 HD2 :: 7.010 HE1 :: 6.740 HE2 :: 6.740 HZ :: 7.270 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.181 Ave N Shift Values>> N :: 120.45(4.18) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 173.275 CA :: 59.238 CB :: 34.873 CG1 :: 20.221 CG2 :: 21.385 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 :: 8.932 HA :: 4.934 HB :: 1.569 HG11 :: 0.374 HG12 :: 0.374 HG13 :: 0.374 HG21 :: 0.382 HG22 :: 0.382 HG23 :: 0.382 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 :: 124.084 Ave N Shift Values>> N :: 121.14(4.54) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.904 CA :: 61.118 CB :: 34.278 CG1 :: 20.918 CG2 :: 21.505 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.156 HA :: 4.671 HB :: 1.904 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 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 :: 124.838 Ave N Shift Values>> N :: 121.14(4.54) 1.L96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.3 L 0.09 G 0.07 K 0.01 C Shift Assignments>> C :: 175.099 CA :: 54.803 CB :: 43.302 CG :: 29.199 CD1 :: 25.550 CD2 :: 26.696 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.682 HA :: 4.971 HB2 :: 1.498 HB3 :: 1.590 HG :: 1.484 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 HD21 :: 0.581 HD22 :: 0.581 HD23 :: 0.581 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 :: 133.449 Ave N Shift Values>> N :: 121.86(3.9) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.857 CA :: 61.276 CB :: 71.314 CG2 :: 21.763 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 :: 8.948 HA :: 5.070 HB :: 3.932 HG1 :: 4.752 HG21 :: 1.119 HG22 :: 1.119 HG23 :: 1.119 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 :: 115.937 Ave N Shift Values>> N :: 115.42(4.75) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.912 CA :: 46.032 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.902 HA2 :: 3.671 HA3 :: 4.352 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.085 Ave N Shift Values>> N :: 109.67(3.87) 1.N99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.17 Y 0.1 E 0.09 F 0.07 D 0.05 M 0.05 L 0.01 C Shift Assignments>> C :: 174.525 CA :: 54.006 CB :: 37.402 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 :: 9.547 HA :: 4.255 HB2 :: 2.759 HB3 :: 2.997 HD21 :: 6.910 HD22 :: 7.544 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 :: 123.958 ND2 :: 112.853 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 L 0.24 C 0.08 C Shift Assignments>> C :: 177.185 CA :: 52.330 CB :: 21.690 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.538 HA :: 4.866 HB1 :: 1.129 HB2 :: 1.129 HB3 :: 1.129 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.429 Ave N Shift Values>> N :: 123.23(3.54) 1.Y101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.74 C 0.22 G 0.02 HN Overlap>> 1.Q104 1.M20 1.Q104 1.M20 1.A42 1.A42 C Shift Assignments>> C :: 172.821 CA :: 56.721 CB :: 42.414 CD1 :: 133.209 CD2 :: 133.159 CE1 :: 117.756 CE2 :: 120.135 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 :: 8.559 HA :: 4.966 HB2 :: 1.650(S) HB3 :: 2.669 HD1 :: 6.787 HD2 :: 6.787 HE1 :: 6.615 HE2 :: 6.615 HH :: 6.465 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 :: 122.699 Ave N Shift Values>> N :: 120.52(4.2) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.29 L 0.18 A 0.04 C Shift Assignments>> C :: 173.130 CA :: 54.334 CB :: 47.062 CG :: 26.872 CD1 :: 23.705 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 :: 8.095 HA :: 4.590 HB2 :: 0.917 HB3 :: 1.409 HG :: 1.012 HD11 :: 0.335 HD12 :: 0.335 HD13 :: 0.335 HD21 :: 0.271 HD22 :: 0.271 HD23 :: 0.271 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 :: 125.887 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.34 Q 0.11 C Shift Assignments>> C :: 174.039 CA :: 54.704 CB :: 32.654 CG :: 32.987 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.111 HA :: 5.000 HB2 :: 1.549 HB3 :: 1.879 HG2 :: 1.879 HG3 :: 2.359 HE21 :: 6.601 HE22 :: 7.648 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 :: 124.336 NE2 :: 112.199 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 C 0.26 Q 0.19 E 0.11 K 0.02 HN Overlap>> 1.Y101 1.A42 1.Y101 1.A42 C Shift Assignments>> C :: 175.792 CA :: 54.628 CB :: 31.534 CG :: 34.517 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 :: 8.540 HA :: 4.745 HB2 :: 1.897 HB3 :: 2.294 HG2 :: 2.203 HG3 :: 2.219 HE21 :: 6.835 HE22 :: 7.453 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 :: 122.743 NE2 :: 111.546 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.091 CA :: 65.989 CB :: 30.695 CG1 :: 21.453 CG2 :: 21.498 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.167 HA :: 3.655 HB :: 2.221 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 0.990 HG22 :: 0.990 HG23 :: 0.990 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 :: 120.520 Ave N Shift Values>> N :: 121.14(4.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 N 0.1 F 0.08 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.658 CA :: 53.931 CB :: 41.360 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 :: 8.331 HA :: 4.668 HB2 :: 2.668 HB3 :: 2.695 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 :: 117.475 Ave N Shift Values>> N :: 120.65(3.86) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.994 CA :: 58.036 CB :: 64.700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.419 HA :: 4.614 HB2 :: 3.754 HB3 :: 3.774 HG :: 2.211 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.019 Ave N Shift Values>> N :: 116.28(3.52) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.1 N 0.09 R 0.05 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 173.028 CA :: 52.765 CB :: 41.951 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 :: 8.466 HA :: 5.220 HB2 :: 2.477 HB3 :: 2.719 HD21 :: 6.733 HD22 :: 7.446 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 :: 118.476 ND2 :: 114.201 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 G 0.01 C Shift Assignments>> C :: 172.214 CA :: 60.241 CB :: 42.239 CG1 :: 26.923 CG2 :: 17.985 CD1 :: 14.204 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 :: 8.556 HA :: 4.487 HB :: 1.616 HG12 :: 1.031 HG13 :: 1.343 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 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 :: 118.161 Ave N Shift Values>> N :: 121.46(4.28) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.08 C Shift Assignments>> C :: 175.475 CA :: 54.418 CB :: 36.306 CG :: 24.666 CD :: 29.300 CE :: 41.775 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 :: 7.933 HA :: 5.204 HB2 :: 1.795 HB3 :: 1.864 HG2 :: 0.685 HG3 :: 1.364 HD2 :: 1.478 HD3 :: 1.487 HE2 :: 2.496 HE3 :: 2.724 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 :: 119.794 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.309 CA :: 45.629 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.125 HA2 :: 3.889 HA3 :: 4.310 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.372 Ave N Shift Values>> N :: 109.67(3.87) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.18 F 0.17 Y 0.12 D 0.1 C 0.07 R 0.06 I 0.02 C Shift Assignments>> C :: 176.266 CA :: 57.243 CB :: 41.739 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 :: 8.387 HA :: 4.717 HB2 :: 2.712 HB3 :: 2.823 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 :: 118.760 Ave N Shift Values>> N :: 120.65(3.86) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.09 C Shift Assignments>> C :: 174.777 CA :: 55.157 CB :: 35.826 CG :: 24.871 CD :: 29.350 CE :: 41.807 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 :: 7.870 HA :: 5.273 HB2 :: 1.602 HB3 :: 1.710 HG2 :: 1.060 HG3 :: 1.063 HD2 :: 1.352 HD3 :: 1.706 HE2 :: 2.484 HE3 :: 2.522 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 :: 118.354 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.2 G 0.17 C Shift Assignments>> C :: 174.780 CA :: 59.994 CB :: 43.484 CG1 :: 26.954 CG2 :: 17.445 CD1 :: 15.140 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 :: 9.332 HA :: 4.953 HB :: 1.425 HG12 :: 1.003 HG13 :: 1.339 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 HD11 :: 0.493 HD12 :: 0.493 HD13 :: 0.493 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 :: 125.748 Ave N Shift Values>> N :: 121.46(4.28) 1.T115 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> T 0.81 C 0.18 HN Overlap>> 1.K56 1.A82 1.E57 1.K56 1.A82 1.E57 C Shift Assignments>> C :: 174.022 CA :: 60.158 CB :: 70.439 CG2 :: 22.003 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 :: 8.773 HA :: 5.039 HB :: 4.112 HG1 :: 9.703(A) HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.228 Ave N Shift Values>> N :: 115.42(4.75) 1.Y116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.84 Y 0.15 HN Overlap>> 1.D60 1.D60 C Shift Assignments>> C :: 174.014 CA :: 55.578 CB :: 40.475 CD1 :: 133.865 CD2 :: 129.883 CE1 :: 120.275 CE2 :: 121.004 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 :: 9.126 HA :: 5.205 HB2 :: 2.367 HB3 :: 2.369 HD1 :: 5.479(S) HD2 :: 7.208 HE1 :: 6.835 HE2 :: 7.115 HH :: 6.546 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 :: 126.745 Ave N Shift Values>> N :: 120.52(4.2) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.26 R 0.01 HN Overlap>> 1.Y69 1.Y69 C Shift Assignments>> C :: 176.160 CA :: 54.216 CB :: 41.539 CG :: 27.709 CD1 :: 24.717 CD2 :: 24.844 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 :: 8.260 HA :: 4.605 HB2 :: 1.609 HB3 :: 1.818 HG :: 0.830 HD11 :: 0.790 HD12 :: 0.790 HD13 :: 0.790 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 129.708 Ave N Shift Values>> N :: 121.86(3.9) 1.V118 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 :: 176.328 CA :: 65.770 CB :: 32.518 CG1 :: 21.541 CG2 :: 21.555 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 :: 7.589 HA :: 3.077 HB :: 1.905 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 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 :: 122.926 Ave N Shift Values>> N :: 121.14(4.54) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 R 0.02 K 0.02 G 0.01 C Shift Assignments>> C :: 174.598 CA :: 62.437 CB :: 32.673 CG :: 21.632 CD :: 29.128 CE :: 41.729 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 :: 8.159 HA :: 4.458 HB2 :: 1.530 HB3 :: 2.264 HG2 :: 0.983 HG3 :: 1.130 HD2 :: 1.645 HD3 :: 1.640 HE2 :: 2.498 HE3 :: 3.130 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 :: 121.796 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.3 Q 0.11 K 0.03 C Shift Assignments>> C :: 175.590 CA :: 53.920 CB :: 31.532 CG :: 32.230 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 :: 7.268 HA :: 3.812 HB2 :: 1.687 HB3 :: 2.019 HG2 :: 2.022 HG3 :: 2.549 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 :: 117.771 Ave N Shift Values>> N :: 120.67(3.48) 1.Q121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.23 Q 0.19 R 0.08 E 0.04 I 0.02 C Shift Assignments>> C :: 177.293 CA :: 56.742 CB :: 26.298 CG :: 34.513 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>> HA :: 3.876 HB2 :: 2.187 HB3 :: 2.190 HG2 :: 2.034 HG3 :: 2.184 HE21 :: 6.819 HE22 :: 7.253 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>> NE2 :: 110.288 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 A 0.23 R 0.17 K 0.04 M 0.01 C Shift Assignments>> C :: 177.352 CA :: 54.921 CB :: 30.722 CG :: 21.540 CD :: 29.265 CE :: 41.779 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 :: 3.660 HB2 :: 2.215 HB3 :: 2.262 HG2 :: 0.981 HG3 :: 1.013 HD2 :: 1.423 HD3 :: 1.431 HE2 :: 2.502 HE3 :: 2.743 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.M123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.42 A 0.09 HN Overlap>> 1.R132 1.F126 1.R132 1.F126 C Shift Assignments>> C :: 174.896 CA :: 56.299 CB :: 29.973 CG :: 31.459 CE :: 17.039 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 :: 7.987 HA :: 4.273 HB2 :: 1.815 HB3 :: 1.843 HG2 :: 2.327 HG3 :: 2.373 HE1 :: 2.012 HE2 :: 2.012 HE3 :: 2.012 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 :: 127.691 Ave N Shift Values>> N :: 120.09(3.57) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.29 Q 0.19 E 0.05 K 0.01 C Shift Assignments>> C :: 173.122 CA :: 55.088 CB :: 31.982 CG :: 33.847 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 :: 8.497 HA :: 4.363 HB2 :: 1.819 HB3 :: 1.820 HG2 :: 2.094 HG3 :: 2.338 HE21 :: 6.697 HE22 :: 7.288 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.281 NE2 :: 109.267 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 L 0.14 C 0.06 HN Overlap>> 1.N41 1.N41 1.L18 1.L18 C Shift Assignments>> C :: 177.515 CA :: 51.533 CB :: 21.499 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.480 HA :: 4.879 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.312 Ave N Shift Values>> N :: 123.23(3.54) 1.F126 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.M123 1.R132 1.M123 1.R132 C Shift Assignments>> C :: 174.303 CA :: 54.034 CB :: 37.474 CD1 :: 132.616 CD2 :: 132.634 CE1 :: 137.519(S) CE2 :: 133.228 CZ :: 133.224 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 :: 7.985 HA :: 4.286 HB2 :: 2.879 HB3 :: 2.918 HD1 :: 6.790 HD2 :: 7.676 HE1 :: 6.791 HE2 :: 7.070 HZ :: 7.070 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 :: 127.688 Ave N Shift Values>> N :: 120.45(4.18) 1.S127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D6 1.D19 1.D6 1.D19 C Shift Assignments>> C :: 174.341 CA :: 56.431 CB :: 62.018 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.282 HA :: 5.072 HB2 :: 4.283 HB3 :: 4.937(S) HG :: 4.749 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.440 Ave N Shift Values>> N :: 116.28(3.52) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.T5 1.T5 C Shift Assignments>> C :: 176.462 CA :: 54.401 CB :: 41.307 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 :: 8.116 HA :: 4.602 HB2 :: 2.594 HB3 :: 2.653 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 :: 113.052 Ave N Shift Values>> N :: 120.65(3.86) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.13 C Shift Assignments>> C :: 177.221 CA :: 56.533 CB :: 32.865 CG :: 24.675 CD :: 29.075 CE :: 42.186 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 :: 8.383 HA :: 4.259 HB2 :: 1.746 HB3 :: 1.858 HG2 :: 1.396 HG3 :: 1.404 HD2 :: 1.632 HD3 :: 1.651 HE2 :: 2.968 HE3 :: 3.199 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 :: 121.666 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.894 CA :: 45.310 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.435 HA2 :: 3.887 HA3 :: 3.977 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.388 Ave N Shift Values>> N :: 109.67(3.87) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.26 R 0.18 G 0.09 C Shift Assignments>> C :: 175.698 CA :: 56.357 CB :: 32.998 CG :: 24.674 CD :: 29.151 CE :: 43.579 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 :: 8.028 HA :: 4.277 HB2 :: 1.690 HB3 :: 1.749 HG2 :: 0.756 HG3 :: 1.393 HD2 :: 1.417 HD3 :: 1.663 HE2 :: 2.669 HE3 :: 2.757 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 :: 121.053 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R132 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.42 G 0.07 K 0.06 HN Overlap>> 1.M123 1.M123 1.F126 1.F126 C Shift Assignments>> C :: 178.204 CA :: 57.455 CB :: 31.536 CG :: 27.151 CD :: 43.461 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.988 HA :: 4.116 HB2 :: 1.702 HB3 :: 1.836 HG2 :: 1.571 HG3 :: 1.584 HD2 :: 3.119 HD3 :: 3.167 HE :: 4.474(S) 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 :: 127.691 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.4FO11 Overall Status: Residue type 4FO not supported. 2.V1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.073 HB :: 2.013 HG11 :: 1.017 HG12 :: 1.017 HG13 :: 1.017 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 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) 2.HYP2 Overall Status: Residue type HYP not supported. 2.I3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.315 HA :: 4.767 HB :: 2.009 HG13 :: 1.777 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 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) 2.I4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.247 HA :: 4.475 HB :: 1.704 HG12 :: 1.015 HG13 :: 1.329 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 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) 2.Y5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.858 HA :: 5.727 HB2 :: 2.760 HB3 :: 2.849 HD1 :: 6.770 HD2 :: 6.770 HE1 :: 6.861 HE2 :: 6.861 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) 2.N7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.833 HA :: 4.808 HB2 :: 2.648 HB3 :: 3.225 HD21 :: 7.811 HD22 :: 6.969 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) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.504 HA :: 4.027 HB2 :: 1.709 HB3 :: 1.783 HG2 :: 1.447 HG3 :: 1.579 HD2 :: 3.201 HD3 :: 3.201 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) 2.DAB9 Overall Status: Residue type DAB not supported. 2.T10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.323 HA :: 4.395 HB :: 4.339 HG21 :: 1.235 HG22 :: 1.235 HG23 :: 1.235 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) 2.K12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 7.870 HA :: 4.511 HB2 :: 1.732 HB3 :: 1.850 HG2 :: 1.324 HG3 :: 1.404 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.979 HE3 :: 2.979 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) 2.C13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.937 HA :: 5.924 HB2 :: 2.699 HB3 :: 2.900 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) 2.DAB14 Overall Status: Residue type DAB not supported. 2.DAB15 Overall Status: Residue type DAB not supported. 2.LE16 Overall Status: Residue type LE1 not supported. 2.Y16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.371 HA :: 4.650 HB2 :: 2.664 HB3 :: 3.224 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 6.681 HE2 :: 6.681 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) ########################################################################### Overall Results: #Consistent: 126 #Clerical: 1 #Suspicious: 11 #Anomalous: 4 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 2 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 140 #Suspicious: 2 C Shift Results: #Consistent: 571 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent:1028 #Duplicate: 0 #Unknown: 1 #Suspicious: 9 #Anomalous: 2 N Shift Results: #Consistent: 144 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.V1 H1 = 8.025(U) 1.H10 ND1 = 122.096(A), Expected = 195.02, Std = 18.5100, ChiSquare = 8.1581e-05 1.R49 HE = 4.468(S), Expected = 7.40, Std = 0.6300, ChiSquare = 3.2561e-06 1.R49 SRO Rule Break>> HE > HA : 0.991111111111111 1.K56 CE = 38.880(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.4186e-04 1.K56 HD3 = 2.408(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.3998e-04 1.D60 HA = 5.971(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.5915e-05 1.G61 HA3 = 5.461(S), Expected = 3.90, Std = 0.3700, ChiSquare = 2.4548e-05 1.P65 CG = 23.130(S), Expected = 27.17, Std = 1.0900, ChiSquare = 2.1021e-04 1.F68 HZ = 5.394(S), Expected = 7.00, Std = 0.4200, ChiSquare = 1.3141e-04 1.H81 HD1 = 1.790(A), Expected = 8.68, Std = 2.6200, ChiSquare = 8.5442e-03 1.H81 ND1 = 122.681(A), Expected = 195.02, Std = 18.5100, ChiSquare = 9.3023e-05 1.H86 Typing: Suspicious 1.H86 CD2 = 136.773(S), Expected = 120.49, Std = 3.4200, ChiSquare = 1.9253e-06 1.H86 CE1 = 128.471(S), Expected = 137.71, Std = 2.1200, ChiSquare = 1.3125e-05 1.H86 ND1 = 122.906(A), Expected = 195.02, Std = 18.5100, ChiSquare = 9.7815e-05 1.H86 SRO Rule Break>> CE1 > CD2 : 0.991666666666667 1.Y101 HB2 = 1.650(S), Expected = 2.91, Std = 0.3700, ChiSquare = 6.6066e-04 1.T115 HG1 = 9.703(A), Expected = 4.92, Std = 1.5800, ChiSquare = 2.4682e-03 1.Y116 HD1 = 5.479(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.3203e-06 1.F126 Typing: Suspicious 1.F126 CE1 = 137.519(S), Expected = 130.71, Std = 1.3000, ChiSquare = 1.6260e-07 1.S127 HB3 = 4.937(S), Expected = 3.85, Std = 0.2700, ChiSquare = 5.6752e-05 1.R132 HE = 4.474(S), Expected = 7.40, Std = 0.6300, ChiSquare = 3.4099e-06