Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.034 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.091 CA :: 45.028 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.434 HA2 :: 3.894 HA3 :: 3.894 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.915 Ave N Shift Values>> N :: 109.67(3.87) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.15 H 0.14 W 0.11 C 0.11 E 0.1 R 0.1 M 0.03 L 0.03 I 0.01 C Shift Assignments>> CA :: 55.369 CB :: 28.871 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 :: 8.324 HB2 :: 3.026 HB3 :: 3.026 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 :: 117.650 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.15 K 0.15 W 0.12 C 0.11 R 0.11 E 0.11 M 0.04 L 0.02 C Shift Assignments>> CA :: 55.337 CB :: 29.115 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 :: 8.502 HA :: 4.644 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.132 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.17 K 0.13 W 0.13 E 0.12 H 0.12 C 0.11 R 0.08 I 0.06 M 0.01 V 0.01 C Shift Assignments>> CB :: 29.308 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>> HB2 :: 3.155 HB3 :: 3.078 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) 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.16 H 0.15 K 0.13 W 0.12 R 0.12 E 0.11 C 0.11 M 0.04 L 0.01 C Shift Assignments>> C :: 174.264 CA :: 55.507 CB :: 29.374 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>> HB2 :: 3.250 HB3 :: 3.166 HD2 :: 7.220 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) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.835 CA :: 58.711 CB :: 63.792 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.453 HA :: 4.407 HB2 :: 3.836 HB3 :: 3.836 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.350 Ave N Shift Values>> N :: 116.28(3.52) 1.G12 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 C Shift Assignments>> C :: 173.879 CA :: 45.406 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.459 HA2 :: 3.979 HA3 :: 3.979 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.081 Ave N Shift Values>> N :: 109.67(3.87) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.977 CA :: 54.177 CB :: 41.122 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 :: 8.159 HA :: 4.652 HB2 :: 2.682 HB3 :: 2.625 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 :: 120.072 Ave N Shift Values>> N :: 120.65(3.86) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.503 CB :: 63.472 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.224 HA :: 4.747 HB2 :: 3.863 HB3 :: 3.800 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 :: 116.998 Ave N Shift Values>> N :: 116.28(3.52) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.373 CA :: 63.239 CB :: 32.142 CG :: 27.351 CD :: 50.739 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 :: 4.427 HB2 :: 2.275 HB3 :: 1.909 HG2 :: 1.975 HG3 :: 1.975 HD2 :: 3.768 HD3 :: 3.683 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.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.516 CA :: 52.409 CB :: 19.302 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.302 HA :: 4.343 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.265 Ave N Shift Values>> N :: 123.23(3.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 176.267 CA :: 62.242 CB :: 32.976 CG1 :: 21.422 CG2 :: 20.806 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 :: 8.045 HA :: 4.232 HB :: 2.150 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.472 Ave N Shift Values>> N :: 121.14(4.54) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.187 CA :: 61.550 CB :: 70.159 CG2 :: 21.705 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 :: 8.266 HA :: 4.454 HB :: 4.258 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 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 :: 117.998 Ave N Shift Values>> N :: 115.42(4.75) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.25 G 0.08 R 0.01 A 0.01 C Shift Assignments>> C :: 175.616 CA :: 55.426 CB :: 43.375 CG :: 26.269 CD1 :: 24.674 CD2 :: 23.517 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 :: 8.060 HA :: 4.261 HB2 :: 1.359 HB3 :: 0.918 HG :: 1.158 HD11 :: -0.158 HD12 :: -0.158 HD13 :: -0.158 HD21 :: -0.044 HD22 :: -0.044 HD23 :: -0.044 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 :: 125.153 Ave N Shift Values>> N :: 121.86(3.9) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.117 CA :: 56.526 CB :: 65.679 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.266 HA :: 4.928 HB2 :: 3.969 HB3 :: 3.969 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.457 Ave N Shift Values>> N :: 116.28(3.52) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.18 C 0.02 C Shift Assignments>> C :: 177.941 CA :: 53.763 CB :: 19.209 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.984 HA :: 4.684 HB1 :: 1.733 HB2 :: 1.733 HB3 :: 1.733 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.397 Ave N Shift Values>> N :: 123.23(3.54) 1.G22 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 :: 170.335 CA :: 45.362 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.405 HA2 :: 4.203 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.452 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 0.82 C 0.11 D 0.05 HN Overlap>> 1.T108 1.T108 C Shift Assignments>> C :: 175.150 CA :: 51.790 CB :: 38.741 CG :: 175.359 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 :: 8.086 HA :: 5.847 HB2 :: 2.665 HB3 :: 2.148 HD21 :: 6.376 HD22 :: 7.188 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.618 ND2 :: 108.769 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 Y 0.34 C 0.26 C Shift Assignments>> C :: 175.585 CA :: 58.125 CB :: 43.818 CD1 :: 133.910 CE1 :: 117.106 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 :: 9.915 HA :: 5.226 HB2 :: 2.925 HB3 :: 2.229 HD1 :: 6.810 HD2 :: 6.810 HE1 :: 6.605 HE2 :: 6.605 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 :: 120.830 Ave N Shift Values>> N :: 120.52(4.2) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 175.136 CA :: 60.603 CB :: 41.194 CG1 :: 27.182 CG2 :: 17.825 CD1 :: 14.522 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 :: 9.211 HA :: 5.042 HB :: 1.923 HG12 :: 1.710 HG13 :: 1.333 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 HD11 :: 0.983 HD12 :: 0.983 HD13 :: 0.983 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.462 Ave N Shift Values>> N :: 121.46(4.28) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.761 CA :: 60.592 CB :: 41.053 CG1 :: 26.988 CG2 :: 16.655 CD1 :: 12.287 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 :: 9.545 HA :: 4.964 HB :: 1.383 HG12 :: 1.347 HG13 :: 0.594 HG21 :: 0.365 HG22 :: 0.365 HG23 :: 0.365 HD11 :: 0.113 HD12 :: 0.113 HD13 :: 0.113 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 :: 124.301 Ave N Shift Values>> N :: 121.46(4.28) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.31 G 0.01 C Shift Assignments>> C :: 173.904 CA :: 54.623 CB :: 41.781 CD1 :: 134.043 CE1 :: 117.917 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 :: 9.380 HA :: 6.177 HB2 :: 2.923 HB3 :: 2.541 HD1 :: 6.921 HD2 :: 6.921 HE1 :: 6.588 HE2 :: 6.588 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.435 Ave N Shift Values>> N :: 120.52(4.2) 1.N28 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.16 F 0.11 Y 0.08 C 0.05 N 0.05 R 0.02 C Shift Assignments>> C :: 174.302 CA :: 55.126 CB :: 41.406 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 :: 8.473 HA :: 3.764 HB2 :: 2.558 HB3 :: 1.814 HD21 :: 2.644(A) HD22 :: 6.693 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 :: 122.035 ND2 :: 105.461 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD21 > HA : 0.9966) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.46 R 0.05 C Shift Assignments>> C :: 173.572 CA :: 59.310 CB :: 30.412 CG :: 29.276 CD :: 45.142 CZ :: 159.681 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 :: 7.757 HA :: 3.844 HB2 :: 1.811 HB3 :: 1.424 HG2 :: 1.564 HG3 :: 1.442 HD2 :: 3.262 HD3 :: 2.961 HE :: 6.648 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.102 NE :: 84.107 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 176.163 CA :: 62.580 CB :: 30.309 CG1 :: 21.394 CG2 :: 22.254 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 :: 8.960 HA :: 3.929 HB :: 1.345 HG11 :: 0.223 HG12 :: 0.223 HG13 :: 0.223 HG21 :: 0.117 HG22 :: 0.117 HG23 :: 0.117 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 :: 118.325 Ave N Shift Values>> N :: 121.14(4.54) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.21 L 0.14 A 0.01 C Shift Assignments>> C :: 179.102 CA :: 54.037 CB :: 45.624 CG :: 27.279 CD1 :: 23.877 CD2 :: 27.087 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 :: 8.840 HA :: 4.467 HB2 :: 1.869 HB3 :: 1.323 HG :: 1.294 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 1.081 HD22 :: 1.081 HD23 :: 1.081 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 :: 125.358 Ave N Shift Values>> N :: 121.86(3.9) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.278 CB :: 62.111 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.279 HA :: 5.351 HB2 :: 3.848 HB3 :: 3.848 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 :: 116.871 Ave N Shift Values>> N :: 116.28(3.52) 1.P33 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.84 P 0.15 C Shift Assignments>> C :: 175.113 CA :: 65.280 CB :: 28.497 CG :: 28.829 CD :: 50.087 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.854 HB2 :: 1.834 HG2 :: 2.319 HG3 :: 1.761 HD2 :: 4.334 HD3 :: 3.965 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) SRO Rule Breaks>> (CB > CG : 0.9931) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 C 0.31 G 0.08 C Shift Assignments>> C :: 176.792 CA :: 54.474 CB :: 30.594 CG :: 27.422 CD :: 43.326 CZ :: 159.675 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 :: 7.229 HA :: 4.466 HB2 :: 1.985 HB3 :: 1.546 HG2 :: 1.579 HG3 :: 1.579 HD2 :: 3.180 HD3 :: 3.180 HE :: 7.177 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 :: 110.154 NE :: 84.506 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 173.280 CA :: 46.991 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.564 HA2 :: 4.715 HA3 :: 3.593 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.075 Ave N Shift Values>> N :: 109.67(3.87) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.26 Q 0.17 M 0.14 K 0.1 C Shift Assignments>> C :: 176.837 CA :: 54.943 CB :: 30.163 CG :: 35.423 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 :: 7.744 HA :: 4.340 HB2 :: 1.903 HB3 :: 1.903 HG2 :: 2.201 HG3 :: 1.909 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.756 Ave N Shift Values>> N :: 120.67(3.48) 1.K37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.42 C 0.42 K 0.13 G 0.01 C Shift Assignments>> C :: 176.061 CA :: 56.873 CB :: 33.647 CG :: 27.443 CD :: 29.610 CE :: 42.465 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 :: 8.646 HA :: 4.401 HB2 :: 1.471 HB3 :: 0.803(S) HG2 :: 0.920 HG3 :: 0.683 HD2 :: 1.284 HD3 :: 0.347(S) HE2 :: 2.863 HE3 :: 2.766 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.737 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.43 L 0.28 C 0.26 G 0.01 C Shift Assignments>> C :: 174.352 CA :: 53.322 CB :: 41.666 CG :: 24.848 CD1 :: 22.005 CD2 :: 25.164 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 :: 10.448(S) HA :: 4.226 HB2 :: 1.780 HB3 :: 0.799 HG :: 1.720 HD11 :: 0.365 HD12 :: 0.365 HD13 :: 0.365 HD21 :: 0.397 HD22 :: 0.397 HD23 :: 0.397 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 :: 126.529 Ave N Shift Values>> N :: 121.86(3.9) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.08 C 0.06 C Shift Assignments>> C :: 178.749 CA :: 50.226 CB :: 21.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.758 HA :: 5.227 HB1 :: 1.541 HB2 :: 1.541 HB3 :: 1.541 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.895 Ave N Shift Values>> N :: 123.23(3.54) 1.L40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.31 R 0.08 G 0.07 C Shift Assignments>> C :: 178.329 CA :: 56.886 CB :: 43.309 CG :: 26.459 CD1 :: 25.803 CD2 :: 24.375 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 :: 9.642 HA :: 4.337 HB2 :: 1.780 HB3 :: 1.244 HG :: 1.164 HD11 :: 0.266 HD12 :: 0.266 HD13 :: 0.266 HD21 :: -0.371(S) HD22 :: -0.371(S) HD23 :: -0.371(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.597 Ave N Shift Values>> N :: 121.86(3.9) 1.T41 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 :: 172.464 CA :: 63.267 CB :: 71.866 CG2 :: 20.279 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 :: 9.790 HA :: 4.914 HB :: 3.980 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 126.452 Ave N Shift Values>> N :: 115.42(4.75) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.33 C 0.23 HN Overlap>> 1.I116 1.I116 C Shift Assignments>> CA :: 53.910 CB :: 39.107 CD2 :: 132.576 CE2 :: 118.238 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 :: 9.413 HA :: 5.083 HB2 :: 2.992 HB3 :: 2.656 HD1 :: 7.169 HD2 :: 7.169 HE1 :: 6.671 HE2 :: 6.671 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 :: 130.518 Ave N Shift Values>> N :: 120.52(4.2) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.49 C 0.48 S 0.01 C Shift Assignments>> CA :: 63.438 CB :: 32.675 CG :: 27.437 CD :: 52.360 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 :: 4.461 HB2 :: 2.448 HB3 :: 1.799 HG2 :: 2.147 HG3 :: 1.759 HD2 :: 4.412 HD3 :: 3.843 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.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.689 CA :: 45.669 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.032 HA3 :: 3.096 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.37 G 0.18 C Shift Assignments>> C :: 175.167 CA :: 54.144 CB :: 33.350 CG :: 25.697 CD :: 43.582 CZ :: 159.604 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 :: 6.426 HA :: 4.557 HB2 :: 1.919 HB3 :: 1.616 HG2 :: 1.455 HG3 :: 1.430 HD2 :: 3.125 HD3 :: 3.125 HE :: 7.008 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 :: 113.951 NE :: 84.952 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.38 E 0.16 C Shift Assignments>> C :: 177.310 CA :: 56.636 CB :: 30.478 CG :: 34.984 CD :: 179.014 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 :: 8.684 HA :: 4.423 HB2 :: 2.061 HB3 :: 2.391 HG2 :: 2.620 HG3 :: 2.167 HE21 :: 6.669 HE22 :: 7.091 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.093 NE2 :: 108.346 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 R 0.19 G 0.11 C Shift Assignments>> C :: 174.095 CA :: 58.815 CB :: 27.785 CG :: 29.408 CD :: 43.398 CZ :: 159.645 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.748 HA :: 3.511 HB2 :: 2.125 HB3 :: 2.039 HG2 :: 1.626 HG3 :: 1.583 HD2 :: 3.310 HD3 :: 3.225 HE :: 7.421 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 :: 113.762 NE :: 85.162 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> CA :: 60.152 CB :: 72.019 CG2 :: 20.706 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 :: 8.141 HA :: 4.906 HB :: 3.627 HG21 :: 1.189 HG22 :: 1.189 HG23 :: 1.189 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 :: 114.684 Ave N Shift Values>> N :: 115.42(4.75) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 175.445 CA :: 64.097 CB :: 32.827 CG :: 27.925 CD :: 51.839 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 :: 4.342 HB2 :: 2.041 HB3 :: 1.759 HG2 :: 2.114 HG3 :: 1.817 HD2 :: 3.977 HD3 :: 3.666 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.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 174.498 CA :: 64.022 CB :: 32.277 CG1 :: 22.040 CG2 :: 22.253 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 :: 8.185 HA :: 3.916 HB :: 1.611 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.235 Ave N Shift Values>> N :: 121.14(4.54) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 T 0.47 C Shift Assignments>> C :: 174.791 CA :: 59.203 CB :: 72.699 CG2 :: 21.937 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 :: 7.049 HA :: 5.340 HB :: 3.966 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 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 :: 113.767 Ave N Shift Values>> N :: 115.42(4.75) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.18 A 0.02 C Shift Assignments>> C :: 175.630 CA :: 58.533 CB :: 34.843 CG1 :: 19.443 CG2 :: 22.085 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 :: 8.051 HA :: 5.502 HB :: 1.798 HG11 :: 1.092 HG12 :: 1.092 HG13 :: 1.092 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 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 :: 107.297 Ave N Shift Values>> N :: 121.14(4.54) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.26 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> CB :: 64.703 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.648 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.419 Ave N Shift Values>> N :: 116.28(3.52) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.708 CA :: 63.398 CB :: 31.916 CG :: 28.260 CD :: 51.083 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 :: 4.757 HB2 :: 2.130 HB3 :: 1.818 HG2 :: 2.152 HG3 :: 1.504 HD2 :: 3.674 HD3 :: 3.462 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.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.31 R 0.15 G 0.09 C Shift Assignments>> C :: 178.618 CA :: 56.290 CB :: 43.540 CG :: 27.172 CD1 :: 25.890 CD2 :: 25.946 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 :: 8.680 HA :: 4.486 HB2 :: 1.672 HB3 :: 1.147 HG :: 1.495 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 HD21 :: 0.676 HD22 :: 0.676 HD23 :: 0.676 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.615 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.18 F 0.07 K 0.06 C 0.05 Y 0.05 C Shift Assignments>> C :: 177.449 CA :: 53.278 CB :: 41.006 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 :: 9.686 HA :: 4.725 HB2 :: 3.021 HB3 :: 2.557 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 :: 126.056 Ave N Shift Values>> N :: 120.65(3.86) 1.G57 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 :: 174.411 CA :: 46.036 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.138 HA2 :: 4.083 HA3 :: 3.744 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.161 Ave N Shift Values>> N :: 109.67(3.87) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.216 CA :: 58.466 CB :: 64.620 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.162 HA :: 4.311 HB2 :: 4.169 HB3 :: 3.853 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 :: 116.057 Ave N Shift Values>> N :: 116.28(3.52) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.656 CA :: 61.602 CB :: 62.661 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.019 HA :: 4.041 HB2 :: 3.800 HB3 :: 3.800 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 :: 119.805 Ave N Shift Values>> N :: 116.28(3.52) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.32 E 0.2 K 0.03 Q 0.02 C Shift Assignments>> C :: 177.218 CA :: 59.511 CB :: 27.719 CG :: 36.452 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 :: 8.519 HA :: 4.241 HB2 :: 2.469 HB3 :: 2.179 HG2 :: 2.653 HG3 :: 2.390 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 :: 118.614 Ave N Shift Values>> N :: 120.67(3.48) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.59 C 0.36 E 0.02 N 0.01 C Shift Assignments>> C :: 173.161 CA :: 54.258 CB :: 27.939 CG :: 34.045 CD :: 179.044 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 :: 7.666 HA :: 5.161 HB2 :: 2.383 HB3 :: 2.023 HG2 :: 2.382 HG3 :: 2.270 HE21 :: 6.176 HE22 :: 6.717 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 :: 118.739 NE2 :: 109.645 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.01 C Shift Assignments>> C :: 176.567 CA :: 51.141 CB :: 20.693 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.228 HA :: 5.068 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.479 Ave N Shift Values>> N :: 123.23(3.54) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 W 0.2 C Shift Assignments>> C :: 174.271 CA :: 55.876 CB :: 32.019 CD1 :: 129.258 CE3 :: 120.397 CZ2 :: 114.040 CZ3 :: 120.156 CH2 :: 120.953 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.568 HA :: 4.960 HB2 :: 2.977 HB3 :: 2.651 HD1 :: 7.419 HE1 :: 9.194 HE3 :: 7.071 HZ2 :: 6.961 HZ3 :: 6.488 HH2 :: 6.727 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.886 NE1 :: 128.217 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 177.143 CA :: 61.031 CB :: 40.329 CG1 :: 26.938 CG2 :: 17.697 CD1 :: 14.922 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 :: 10.260 HA :: 4.716 HB :: 1.759 HG12 :: 1.146 HG13 :: 1.456 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.573 Ave N Shift Values>> N :: 121.46(4.28) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.38 R 0.15 G 0.02 A 0.01 C Shift Assignments>> C :: 177.014 CA :: 54.239 CB :: 42.436 CG :: 29.029 CD1 :: 24.169 CD2 :: 24.870 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 :: 9.424 HA :: 5.500 HB2 :: 1.715 HB3 :: 1.498 HG :: 1.440 HD11 :: 0.121 HD12 :: 0.121 HD13 :: 0.121 HD21 :: 0.089 HD22 :: 0.089 HD23 :: 0.089 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 :: 132.354 Ave N Shift Values>> N :: 121.86(3.9) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.39 G 0.18 C Shift Assignments>> C :: 175.205 CA :: 54.930 CB :: 32.930 CG :: 28.473 CD :: 43.850 CZ :: 159.653 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 :: 8.395 HA :: 4.870 HB2 :: 1.848 HB3 :: 1.765 HG2 :: 1.715 HG3 :: 1.669 HD2 :: 3.256 HD3 :: 3.191 HE :: 7.306 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.491 NE :: 86.001 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.554 CA :: 58.564 CB :: 62.516 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.571 HA :: 3.068(S) HB2 :: 3.227 HB3 :: 2.929(S) 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 :: 119.783 Ave N Shift Values>> N :: 116.28(3.52) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 174.497 CA :: 59.703 CB :: 39.136 CD1 :: 133.251 CE1 :: 117.990 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 :: 8.524 HA :: 4.442 HB2 :: 2.546 HB3 :: 2.546 HD1 :: 6.923 HD2 :: 6.923 HE1 :: 6.644 HE2 :: 6.644 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 :: 130.761 Ave N Shift Values>> N :: 120.52(4.2) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.25 K 0.11 N 0.09 F 0.05 R 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.343 CA :: 52.870 CB :: 41.874 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.988 HA :: 4.585 HB2 :: 2.800 HB3 :: 2.289 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 :: 116.748 Ave N Shift Values>> N :: 120.65(3.86) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.052 CA :: 60.839 CB :: 62.553 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.754 HA :: 4.256 HB2 :: 3.855 HB3 :: 3.704 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 :: 123.125 Ave N Shift Values>> N :: 116.28(3.52) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 C 0.32 D 0.17 C Shift Assignments>> C :: 176.267 CA :: 55.799 CB :: 38.577 CG :: 176.711 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 :: 8.314 HA :: 4.536 HB2 :: 2.932 HB3 :: 2.786 HD21 :: 6.906 HD22 :: 7.772 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.889 ND2 :: 114.360 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.732 CA :: 57.751 CB :: 63.985 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.520 HA :: 4.540 HB2 :: 3.916 HB3 :: 3.916 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 :: 112.068 Ave N Shift Values>> N :: 116.28(3.52) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 N 0.24 D 0.15 E 0.14 Q 0.02 C Shift Assignments>> C :: 173.430 CA :: 54.537 CB :: 37.089 CG :: 179.236 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 :: 7.881 HA :: 4.476 HB2 :: 3.546 HB3 :: 2.778 HD21 :: 6.915 HD22 :: 7.759 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.412 ND2 :: 113.419 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 T 0.29 C Shift Assignments>> C :: 177.237 CA :: 59.633 CB :: 72.103 CG2 :: 23.374 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 :: 7.727 HA :: 5.507 HB :: 3.906 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 103.610 Ave N Shift Values>> N :: 115.42(4.75) 1.W75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 176.062 CA :: 57.663 CB :: 33.213 CD1 :: 127.731 CE3 :: 120.140 CZ2 :: 114.494 CZ3 :: 120.366 CH2 :: 124.077 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.409 HA :: 5.170 HB2 :: 3.330 HB3 :: 2.530 HD1 :: 7.232 HE1 :: 10.068 HE3 :: 7.175 HZ2 :: 7.361 HZ3 :: 6.517 HH2 :: 6.825 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.666 NE1 :: 128.688 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.551 CA :: 60.584 CB :: 71.472 CG2 :: 21.329 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 :: 9.430 HA :: 5.092 HB :: 4.350 HG21 :: 1.317 HG22 :: 1.317 HG23 :: 1.317 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 :: 110.767 Ave N Shift Values>> N :: 115.42(4.75) 1.I77 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 :: 176.155 CA :: 61.926 CB :: 40.811 CG1 :: 26.062 CG2 :: 18.159 CD1 :: 12.675 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 :: 9.196 HA :: 5.065 HB :: 1.546 HG12 :: 1.600 HG13 :: 0.712 HG21 :: 0.590 HG22 :: 0.590 HG23 :: 0.590 HD11 :: 0.155 HD12 :: 0.155 HD13 :: 0.155 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.419 Ave N Shift Values>> N :: 121.46(4.28) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 55.733 CB :: 65.891 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.133 HA :: 5.584 HB2 :: 4.240 HB3 :: 3.531 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 :: 121.963 Ave N Shift Values>> N :: 116.28(3.52) 1.P79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.59 C 0.39 C Shift Assignments>> C :: 178.105 CA :: 62.746 CB :: 30.216 CG :: 27.265 CD :: 49.418 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.814 HB2 :: 1.015 HB3 :: 0.770(S) HG2 :: 1.152 HG3 :: 1.504 HD2 :: 3.874 HD3 :: 3.418 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.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.678 CA :: 66.091 CB :: 31.550 CG1 :: 21.033 CG2 :: 23.044 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.345 HA :: 3.559 HB :: 1.827 HG11 :: 0.766 HG12 :: 0.766 HG13 :: 0.766 HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 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 :: 121.939 Ave N Shift Values>> N :: 121.14(4.54) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.942 CA :: 45.103 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.945 HA2 :: 3.922 HA3 :: 3.531 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.563 Ave N Shift Values>> N :: 109.67(3.87) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.607 CB :: 62.293 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.959 HA :: 4.619 HB2 :: 3.562 HB3 :: 3.474 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 :: 111.874 Ave N Shift Values>> N :: 116.28(3.52) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.569 CA :: 65.265 CB :: 32.753 CG :: 27.033 CD :: 49.935 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 :: 4.329 HB2 :: 2.140 HB3 :: 1.913 HG2 :: 1.981 HG3 :: 1.856 HD2 :: 3.631 HD3 :: 3.408 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.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.24 C 0.1 C Shift Assignments>> C :: 175.953 CA :: 52.887 CB :: 38.821 CG :: 177.546 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 :: 8.489 HA :: 4.982 HB2 :: 2.856 HB3 :: 2.703 HD21 :: 6.915 HD22 :: 7.497 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.421 ND2 :: 113.097 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.917 CA :: 59.267 CB :: 64.480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.982 HA :: 4.613 HB2 :: 3.920 HB3 :: 3.729 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.678 Ave N Shift Values>> N :: 116.28(3.52) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 Q 0.06 N 0.05 E 0.02 C Shift Assignments>> C :: 179.177 CA :: 54.365 CB :: 34.650 CG :: 34.278 CD :: 179.139 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 :: 9.414 HA :: 5.451 HB2 :: 2.640 HB3 :: 2.264 HG2 :: 2.477 HG3 :: 2.477 HE21 :: 7.179 HE22 :: 7.790 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 :: 118.988 NE2 :: 111.692 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I87 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 :: 176.507 CA :: 63.494 CB :: 38.268 CG1 :: 28.981 CG2 :: 19.546 CD1 :: 14.182 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 :: 8.863 HA :: 4.634 HB :: 1.778 HG12 :: 1.791 HG13 :: 0.794 HG21 :: 0.833 HG22 :: 0.833 HG23 :: 0.833 HD11 :: 0.175 HD12 :: 0.175 HD13 :: 0.175 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 :: 119.732 Ave N Shift Values>> N :: 121.46(4.28) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 170.546 CA :: 43.391 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.739 HA2 :: 4.797 HA3 :: 3.074 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.300 Ave N Shift Values>> N :: 109.67(3.87) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 W 0.31 C Shift Assignments>> C :: 176.074 CA :: 56.162 CB :: 30.349 CD1 :: 122.926 CE3 :: 120.336 CZ2 :: 114.251 CZ3 :: 121.543 CH2 :: 126.067 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.872 HA :: 4.512 HB2 :: 3.615 HB3 :: 3.002 HD1 :: 7.556 HE1 :: 10.575 HE3 :: 7.349 HZ2 :: 7.393 HZ3 :: 7.202 HH2 :: 7.128 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.107 NE1 :: 127.325 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G90 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 :: 174.246 CA :: 45.360 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.953 HA2 :: 4.275 HA3 :: 3.758 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.792 Ave N Shift Values>> N :: 109.67(3.87) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.01 C Shift Assignments>> C :: 178.553 CA :: 53.493 CB :: 18.327 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.361 HA :: 4.231 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.941 Ave N Shift Values>> N :: 123.23(3.54) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.443 CA :: 45.222 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.814 HA2 :: 4.064 HA3 :: 3.802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.115 Ave N Shift Values>> N :: 109.67(3.87) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.24 Q 0.12 N 0.09 D 0.04 C Shift Assignments>> C :: 172.621 CA :: 55.183 CB :: 36.270 CG :: 179.348 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 :: 8.623 HA :: 4.417 HB2 :: 3.605 HB3 :: 3.365 HD21 :: 7.180 HD22 :: 7.836 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 :: 114.247 ND2 :: 116.028 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.17 V 0.03 C Shift Assignments>> CA :: 56.702 CB :: 34.101 CG1 :: 18.361 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>> H :: 6.953 HA :: 5.100 HB :: 2.032 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 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 :: 112.572 Ave N Shift Values>> N :: 121.14(4.54) 1.P95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.65 P 0.34 C Shift Assignments>> C :: 176.117 CA :: 61.249 CB :: 30.763 CG :: 25.706 CD :: 50.435 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 :: 4.885 HB2 :: 1.181 HB3 :: 0.910 HG2 :: 0.404(S) HG3 :: -0.185(S) HD2 :: 3.311 HD3 :: 3.209 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.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.97 A 0.01 C Shift Assignments>> C :: 173.693 CA :: 58.947 CB :: 37.392 CG1 :: 21.420 CG2 :: 17.109 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 :: 8.228 HA :: 4.724 HB :: 1.636 HG11 :: 0.689 HG12 :: 0.689 HG13 :: 0.689 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 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 :: 113.170 Ave N Shift Values>> N :: 121.14(4.54) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.817 CA :: 63.524 CB :: 31.364 CG1 :: 23.790 CG2 :: 23.253 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 :: 8.900 HA :: 4.662 HB :: 2.429 HG11 :: 1.078 HG12 :: 1.078 HG13 :: 1.078 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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 :: 122.149 Ave N Shift Values>> N :: 121.14(4.54) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.22 C 0.16 A 0.06 C Shift Assignments>> CA :: 52.739 CB :: 46.171 CG :: 26.989 CD1 :: 25.905 CD2 :: 23.225 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 :: 9.327 HA :: 5.052 HB2 :: 1.835 HB3 :: 1.691 HG :: 1.472 HD11 :: 0.518 HD12 :: 0.518 HD13 :: 0.518 HD21 :: 0.995 HD22 :: 0.995 HD23 :: 0.995 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 :: 129.879 Ave N Shift Values>> N :: 121.86(3.9) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.58 P 0.41 C Shift Assignments>> CA :: 61.511 CB :: 30.469 CG :: 28.250 CD :: 50.535 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 :: 4.774 HB2 :: 2.549 HB3 :: 1.823 HG2 :: 2.195 HD2 :: 3.759 HD3 :: 3.677 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.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.238 CA :: 63.927 CB :: 32.376 CG :: 28.194 CD :: 50.103 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.943 HB2 :: 2.331 HB3 :: 2.051 HG2 :: 2.111 HG3 :: 1.971 HD2 :: 3.763 HD3 :: 3.628 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.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 C 0.19 D 0.15 C Shift Assignments>> C :: 170.708 CA :: 53.024 CB :: 37.551 CG :: 178.180 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.971 HA :: 4.476 HB2 :: 2.353 HB3 :: 2.002 HD21 :: 6.449 HD22 :: 6.645 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 :: 118.409 ND2 :: 108.160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.27 D 0.08 E 0.01 C Shift Assignments>> C :: 173.806 CA :: 54.087 CB :: 37.185 CG :: 177.576 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 :: 7.970 HA :: 3.787 HB2 :: 2.601 HB3 :: 2.323 HD21 :: 6.951 HD22 :: 7.002 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 :: 112.776 ND2 :: 114.698 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.3 F 0.24 C Shift Assignments>> C :: 175.661 CA :: 57.839 CB :: 38.096 CD2 :: 133.019 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.765 HA :: 4.543 HB2 :: 3.145 HB3 :: 2.876 HD1 :: 7.159 HD2 :: 7.159 HE1 :: 6.623 HE2 :: 6.623 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 :: 119.975 Ave N Shift Values>> N :: 120.52(4.2) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.08 V 0.01 C Shift Assignments>> C :: 172.244 CA :: 57.607 CB :: 35.973 CG1 :: 18.145 CG2 :: 19.589 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 :: 7.325 HA :: 5.177 HB :: 1.703 HG11 :: 0.367 HG12 :: 0.367 HG13 :: 0.367 HG21 :: -0.045 HG22 :: -0.045 HG23 :: -0.045 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.353 Ave N Shift Values>> N :: 121.14(4.54) 1.W105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.17 C Shift Assignments>> C :: 175.772 CA :: 54.765 CB :: 32.498 CD1 :: 128.376 CE3 :: 123.025 CZ2 :: 113.161 CZ3 :: 117.874 CH2 :: 123.244 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.835 HA :: 4.827 HB2 :: 3.055 HB3 :: 2.114 HD1 :: 7.165 HE1 :: 9.715 HE3 :: 7.600 HZ2 :: 6.924 HZ3 :: 6.463 HH2 :: 6.663 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.723 NE1 :: 127.408 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.459 CA :: 62.125 CB :: 69.467 CG2 :: 22.646 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 :: 9.571 HA :: 4.883 HB :: 4.010 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 121.468 Ave N Shift Values>> N :: 115.42(4.75) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.24 R 0.02 C Shift Assignments>> C :: 175.229 CA :: 53.582 CB :: 41.399 CG :: 27.638 CD1 :: 24.612 CD2 :: 25.450 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 :: 7.619 HA :: 4.822 HB2 :: 1.367 HB3 :: 0.722 HG :: 1.134 HD11 :: -0.157 HD12 :: -0.157 HD13 :: -0.157 HD21 :: -0.026 HD22 :: -0.026 HD23 :: -0.026 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 :: 127.098 Ave N Shift Values>> N :: 121.86(3.9) 1.T108 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.N23 1.N23 C Shift Assignments>> C :: 173.286 CA :: 62.217 CB :: 70.076 CG2 :: 21.692 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 :: 8.068 HA :: 4.386 HB :: 4.057 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 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 :: 119.647 Ave N Shift Values>> N :: 115.42(4.75) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.33 A 0.2 C Shift Assignments>> C :: 175.179 CA :: 55.277 CB :: 40.598 CG :: 26.345 CD1 :: 25.896 CD2 :: 21.371 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 :: 8.900 HA :: 3.510 HB2 :: 1.662 HB3 :: 0.863 HG :: 1.111 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.191 HD22 :: 0.191 HD23 :: 0.191 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 :: 130.409 Ave N Shift Values>> N :: 121.86(3.9) 1.T110 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 :: 176.376 CA :: 60.103 CB :: 72.953 CG2 :: 21.521 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 :: 7.665 HA :: 4.894 HB :: 4.556 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 120.205 Ave N Shift Values>> N :: 115.42(4.75) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.720 CA :: 60.745 CB :: 62.659 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.133 HA :: 4.190 HB2 :: 3.959 HB3 :: 3.959 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 :: 117.022 Ave N Shift Values>> N :: 116.28(3.52) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.942 CA :: 44.142 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.239 HA2 :: 4.375 HA3 :: 3.676 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.314 Ave N Shift Values>> N :: 109.67(3.87) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.24 K 0.12 D 0.1 F 0.07 Y 0.04 C 0.03 G 0.01 I 0.01 C Shift Assignments>> C :: 175.795 CA :: 42.724 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.433 HA2 :: 4.684 HA3 :: 3.891 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.588 Ave N Shift Values>> N :: 109.67(3.87) 1.Y114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.587 CA :: 61.238 CB :: 38.793 CD1 :: 132.213 CE1 :: 118.589 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 :: 9.691 HA :: 4.842 HB2 :: 2.787 HB3 :: 2.183 HD1 :: 6.700 HD2 :: 6.700 HE1 :: 6.650 HE2 :: 6.650 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.585 Ave N Shift Values>> N :: 120.52(4.2) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 C 0.18 D 0.1 C Shift Assignments>> C :: 174.239 CA :: 51.065 CB :: 40.542 CG :: 174.602 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 :: 9.363 HA :: 5.075 HB2 :: 2.971 HB3 :: 2.249 HD21 :: 6.667 HD22 :: 7.266 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 :: 123.303 ND2 :: 108.027 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I116 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.95 I 0.04 HN Overlap>> 1.Y42 1.Y42 C Shift Assignments>> C :: 173.936 CA :: 62.066 CB :: 37.326 CG1 :: 25.964 CG2 :: 13.005(S) CD1 :: 11.560 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 :: 9.468 HA :: 4.236 HB :: 0.473(S) HG12 :: 0.941 HG13 :: -0.041 HG21 :: -1.468(A) HG22 :: -1.468(A) HG23 :: -1.468(A) HD11 :: -0.899(S) HD12 :: -0.899(S) HD13 :: -0.899(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.562 Ave N Shift Values>> N :: 121.46(4.28) 1.Q117 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.83 D 0.15 E 0.01 HN Overlap>> 1.A132 1.A132 C Shift Assignments>> C :: 177.747 CA :: 53.156 CB :: 37.420(S) CG :: 35.565 CD :: 182.116 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 :: 8.836 HA :: 5.870(S) HB2 :: 2.592 HB3 :: 2.033 HG2 :: 2.637 HG3 :: 1.799 HE21 :: 6.719 HE22 :: 6.907 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 :: 121.811 NE2 :: 111.201 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.2 L 0.14 F 0.13 Y 0.12 C 0.08 K 0.01 C Shift Assignments>> C :: 178.434 CA :: 54.701 CB :: 39.993 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 :: 9.492 HA :: 4.827 HB2 :: 3.042 HB3 :: 2.614 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 :: 116.489 Ave N Shift Values>> N :: 120.65(3.86) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.130 CA :: 46.711 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.193 HA2 :: 3.706 HA3 :: 3.566 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.761 Ave N Shift Values>> N :: 109.67(3.87) 1.K120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.34 R 0.19 G 0.01 C Shift Assignments>> C :: 175.032 CA :: 55.737 CB :: 32.698 CG :: 25.687 CD :: 28.805 CE :: 42.268 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 :: 6.552 HA :: 4.346 HB2 :: 2.048 HB3 :: 1.822 HG2 :: 1.550 HG3 :: 1.407 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.011 HE3 :: 3.011 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.165 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.23 R 0.22 C Shift Assignments>> C :: 175.048 CA :: 58.164 CB :: 26.672 CG :: 27.295 CD :: 43.986 CZ :: 159.609 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 :: 7.608 HA :: 3.562 HB2 :: 2.109 HB3 :: 1.788 HG2 :: 1.567 HG3 :: 1.304 HD2 :: 3.253 HD3 :: 3.253 HE :: 7.241 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.377 NE :: 85.187 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.283 CA :: 62.744 CB :: 71.739 CG2 :: 22.501 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 :: 11.293(S) HA :: 4.518 HB :: 4.188 HG21 :: 1.172 HG22 :: 1.172 HG23 :: 1.172 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 :: 113.874 Ave N Shift Values>> N :: 115.42(4.75) 1.V123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.06 I 0.02 C Shift Assignments>> C :: 174.592 CA :: 60.369 CB :: 37.229 CG1 :: 22.331 CG2 :: 18.836 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 :: 8.265 HA :: 4.786 HB :: 2.046 HG11 :: 1.029 HG12 :: 1.029 HG13 :: 1.029 HG21 :: 0.480 HG22 :: 0.480 HG23 :: 0.480 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 :: 118.928 Ave N Shift Values>> N :: 121.14(4.54) 1.S124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> C :: 175.334 CA :: 57.979 CB :: 67.321 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.127 HA :: 5.812(S) HB2 :: 4.124 HB3 :: 3.318 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 :: 112.714 Ave N Shift Values>> N :: 116.28(3.52) 1.W125 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.96 W 0.03 C Shift Assignments>> C :: 178.008 CA :: 55.392 CB :: 29.926 CD1 :: 120.930 CE3 :: 118.824 CZ2 :: 112.127 CZ3 :: 120.072 CH2 :: 122.903 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.887 HA :: 5.627 HB2 :: 2.914 HB3 :: 2.814 HD1 :: 6.195 HE1 :: 6.307(S) HE3 :: 5.806(S) HZ2 :: 4.655(A) HZ3 :: 5.795 HH2 :: 5.880 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.209 NE1 :: 124.700 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (HZ2 > HA : 0.9986) 1.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 171.577 CA :: 58.607 CB :: 66.261 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.869 HA :: 5.432 HB2 :: 3.824 HB3 :: 3.686 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 :: 119.520 Ave N Shift Values>> N :: 116.28(3.52) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 G 0.22 C 0.18 R 0.13 A 0.06 C Shift Assignments>> C :: 176.487 CA :: 52.512 CB :: 43.580 CG :: 27.139 CD1 :: 23.354 CD2 :: 26.718 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.534 HA :: 5.130 HB2 :: 1.785 HB3 :: 1.208 HG :: 1.581 HD11 :: 1.029 HD12 :: 1.029 HD13 :: 1.029 HD21 :: 0.691 HD22 :: 0.691 HD23 :: 0.691 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 :: 113.677 Ave N Shift Values>> N :: 121.86(3.9) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.32 D 0.2 C Shift Assignments>> C :: 175.425 CA :: 55.952 CB :: 39.232 CG :: 176.314 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 :: 8.680 HA :: 4.660 HB2 :: 2.842 HB3 :: 2.746 HD21 :: 6.803 HD22 :: 7.580 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.694 ND2 :: 113.022 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.44 N 0.42 C 0.12 C Shift Assignments>> C :: 175.767 CA :: 54.061 CB :: 41.171 CG :: 176.675 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 10.684(S) HA :: 4.986 HB2 :: 2.677 HB3 :: 2.594 HD21 :: 6.880 HD22 :: 7.474 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 :: 118.808 ND2 :: 114.005 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.53 M 0.45 C 0.01 C Shift Assignments>> C :: 172.520 CA :: 52.587 CB :: 16.178 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 10.346(S) HA :: 3.556 HB1 :: 0.698 HB2 :: 0.698 HB3 :: 0.698 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.747 Ave N Shift Values>> N :: 123.23(3.54) 1.T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.43 A 0.01 C Shift Assignments>> C :: 173.606 CA :: 58.311 CB :: 71.614 CG2 :: 22.083 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 :: 7.048 HA :: 4.446 HB :: 4.170 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 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 :: 105.530 Ave N Shift Values>> N :: 115.42(4.75) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 HN Overlap>> 1.Q117 1.Q117 C Shift Assignments>> C :: 178.759 CA :: 54.238 CB :: 18.371 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.932 HA :: 3.730 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.772 Ave N Shift Values>> N :: 123.23(3.54) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.425 CA :: 45.223 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.961 HA2 :: 4.261 HA3 :: 3.838 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.923 Ave N Shift Values>> N :: 109.67(3.87) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.16 Q 0.05 K 0.02 I 0.01 C Shift Assignments>> C :: 176.144 CA :: 57.261 CB :: 31.079 CG :: 36.101 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 :: 7.582 HA :: 3.954 HB2 :: 2.165 HB3 :: 2.090 HG2 :: 2.833 HG3 :: 2.348 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 :: 123.206 Ave N Shift Values>> N :: 120.67(3.48) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 K 0.24 E 0.15 R 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.674 CA :: 55.936 CB :: 28.741 CG :: 34.630 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 :: 8.257 HA :: 4.319 HB2 :: 1.922 HB3 :: 1.922 HG2 :: 2.574 HG3 :: 2.142 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.970 Ave N Shift Values>> N :: 120.67(3.48) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 173.701 CA :: 63.687 CB :: 31.940 CG1 :: 22.960 CG2 :: 21.443 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 :: 7.217 HA :: 3.692 HB :: 1.037 HG11 :: 0.702 HG12 :: 0.702 HG13 :: 0.702 HG21 :: 0.451 HG22 :: 0.451 HG23 :: 0.451 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.620 Ave N Shift Values>> N :: 121.14(4.54) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.718 CA :: 57.808 CB :: 64.943 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.474 HA :: 4.893 HB2 :: 3.732 HB3 :: 3.651 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.884 Ave N Shift Values>> N :: 116.28(3.52) 1.I138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.077 CA :: 61.039 CB :: 38.718 CG1 :: 26.445 CG2 :: 18.068 CD1 :: 13.811 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.932 HA :: 4.133 HB :: 0.870 HG12 :: 1.160 HG13 :: -0.134 HG21 :: -0.112 HG22 :: -0.112 HG23 :: -0.112 HD11 :: -0.210 HD12 :: -0.210 HD13 :: -0.210 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 :: 124.104 Ave N Shift Values>> N :: 121.46(4.28) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 171.871 CA :: 47.216 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.505 HA2 :: 4.126 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.613 Ave N Shift Values>> N :: 109.67(3.87) 1.A140 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 :: 177.939 CA :: 52.665 CB :: 19.190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.520 HA :: 4.372 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.898 Ave N Shift Values>> N :: 123.23(3.54) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 L 0.16 F 0.08 Y 0.07 C 0.06 K 0.03 C Shift Assignments>> C :: 175.295 CA :: 53.658 CB :: 40.514 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 :: 8.516 HA :: 4.580 HB2 :: 2.619 HB3 :: 2.619 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 :: 120.771 Ave N Shift Values>> N :: 120.65(3.86) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.16 C 0.06 C Shift Assignments>> C :: 177.697 CA :: 51.905 CB :: 21.518 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.859 HA :: 4.488 HB1 :: 1.339 HB2 :: 1.339 HB3 :: 1.339 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.510 Ave N Shift Values>> N :: 123.23(3.54) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.422 CA :: 64.609 CB :: 69.243 CG2 :: 21.268 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 :: 8.256 HA :: 3.700 HB :: 3.810 HG21 :: 0.626 HG22 :: 0.626 HG23 :: 0.626 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 :: 118.345 Ave N Shift Values>> N :: 115.42(4.75) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.38 C 0.21 C Shift Assignments>> C :: 176.217 CA :: 61.381 CB :: 39.462 CD2 :: 131.379 CE2 :: 131.602 CZ :: 130.553 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 :: 8.717 HA :: 4.318 HB2 :: 3.162 HB3 :: 2.700 HD1 :: 7.173 HD2 :: 7.173 HE1 :: 7.387 HE2 :: 7.387 HZ :: 7.259 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.570 Ave N Shift Values>> N :: 120.45(4.18) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.622 CA :: 59.453 CB :: 62.390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.676 HA :: 4.850 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 :: 113.661 Ave N Shift Values>> N :: 116.28(3.52) 1.G146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.279 CA :: 44.879 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.458 HA2 :: 5.101 HA3 :: 4.012 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.232 Ave N Shift Values>> N :: 109.67(3.87) 1.R147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.57 R 0.39 G 0.02 C Shift Assignments>> C :: 173.815 CA :: 52.273 CB :: 32.740 CG :: 26.014 CD :: 41.795 CZ :: 159.966 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 :: 7.569 HA :: 5.432 HB2 :: 1.814 HB3 :: 1.489 HG2 :: 1.389 HG3 :: 1.170 HD2 :: 2.972 HD3 :: 2.128(S) HE :: 6.776 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.018 NE :: 82.776 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.17 C Shift Assignments>> C :: 174.346 CA :: 55.649 CB :: 31.991 CD1 :: 129.615 CE3 :: 121.299 CZ2 :: 112.594 CZ3 :: 119.317 CH2 :: 122.524 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.710 HA :: 4.831 HB2 :: 2.934 HB3 :: 2.380 HD1 :: 7.455 HE1 :: 9.444 HE3 :: 7.174 HZ2 :: 6.870 HZ3 :: 6.832 HH2 :: 6.818 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.416 NE1 :: 129.536 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.558 CA :: 61.708 CB :: 32.459 CG1 :: 21.728 CG2 :: 19.332 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 :: 9.694 HA :: 4.119 HB :: 0.409(S) HG11 :: 0.605 HG12 :: 0.605 HG13 :: 0.605 HG21 :: 0.419 HG22 :: 0.419 HG23 :: 0.419 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.860 Ave N Shift Values>> N :: 121.14(4.54) 1.I150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.551 CA :: 60.985 CB :: 38.754 CG1 :: 26.893 CG2 :: 16.945 CD1 :: 11.712 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.745 HA :: 4.834 HB :: 1.035 HG12 :: 0.955 HG13 :: 0.492 HG21 :: 0.103 HG22 :: 0.103 HG23 :: 0.103 HD11 :: -0.563(S) HD12 :: -0.563(S) HD13 :: -0.563(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.094 Ave N Shift Values>> N :: 121.46(4.28) 1.E151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.24 E 0.1 Q 0.01 C Shift Assignments>> C :: 174.295 CA :: 54.687 CB :: 33.871 CG :: 36.058 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 :: 8.929 HA :: 4.865 HB2 :: 2.105 HB3 :: 1.940 HG2 :: 2.299 HG3 :: 2.299 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.812 Ave N Shift Values>> N :: 120.67(3.48) 1.K152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.14 G 0.01 C Shift Assignments>> C :: 176.297 CA :: 57.492 CB :: 33.304 CG :: 25.148 CD :: 29.290 CE :: 42.336 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 :: 8.661 HA :: 3.836 HB2 :: 1.712 HB3 :: 1.584 HG2 :: 1.308 HG3 :: 1.190 HD2 :: 1.567 HD3 :: 1.567 HE2 :: 2.959 HE3 :: 2.959 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 :: 126.748 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> CA :: 63.513 CB :: 33.396 CG1 :: 21.651 CG2 :: 20.755 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.898 HA :: 4.027 HB :: 1.935 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 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 :: 127.356 Ave N Shift Values>> N :: 121.14(4.54) 2.NAG1 Overall Status: Residue type NAG not supported. 2.MAG2 Overall Status: Residue type MAG not supported. 2.FUC3 Overall Status: Residue type FUC not supported. ########################################################################### Overall Results: #Consistent: 135 #Clerical: 0 #Suspicious: 14 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 147 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 150 #Suspicious: 3 C Shift Results: #Consistent: 619 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 950 #Duplicate: 0 #Unknown: 0 #Suspicious: 27 #Anomalous: 5 N Shift Results: #Consistent: 163 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N28 HD21 = 2.644(A), Expected = 7.35, Std = 0.4800, ChiSquare = 1.0804e-22 1.N28 SRO Rule Break>> HD21 > HA : 0.996566944580677 1.P33 SRO Rule Break>> CB > CG : 0.993121238177128 1.K37 HB3 = 0.803(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.1974e-04 1.K37 HD3 = 0.347(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.2304e-08 1.L38 H = 10.448(S), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4415e-04 1.L40 HD21 = -0.371(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.4672e-04 1.L40 HD22 = -0.371(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.4672e-04 1.L40 HD23 = -0.371(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.4672e-04 1.S67 HA = 3.068(S), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1556e-04 1.S67 HB3 = 2.929(S), Expected = 3.85, Std = 0.2700, ChiSquare = 6.4699e-04 1.P79 HB3 = 0.770(S), Expected = 2.00, Std = 0.3600, ChiSquare = 6.3393e-04 1.P95 HG2 = 0.404(S), Expected = 1.93, Std = 0.3100, ChiSquare = 8.5410e-07 1.P95 HG3 = -0.185(S), Expected = 1.90, Std = 0.3300, ChiSquare = 2.6466e-10 1.I116 CG2 = 13.005(S), Expected = 17.53, Std = 1.3600, ChiSquare = 8.7722e-04 1.I116 HB = 0.473(S), Expected = 1.78, Std = 0.2900, ChiSquare = 6.5783e-06 1.I116 HG21 = -1.468(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1431e-16 1.I116 HG22 = -1.468(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1431e-16 1.I116 HG23 = -1.468(A), Expected = 0.77, Std = 0.2700, ChiSquare = 1.1431e-16 1.I116 HD11 = -0.899(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.1856e-08 1.I116 HD12 = -0.899(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.1856e-08 1.I116 HD13 = -0.899(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.1856e-08 1.Q117 Typing: Mistyped 1.Q117 CB = 37.420(S), Expected = 29.19, Std = 1.8200, ChiSquare = 6.1264e-06 1.Q117 HA = 5.870(S), Expected = 4.27, Std = 0.4400, ChiSquare = 2.7651e-04 1.T122 H = 11.293(S), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4709e-07 1.S124 HA = 5.812(S), Expected = 4.48, Std = 0.4000, ChiSquare = 8.6846e-04 1.W125 HE1 = 6.307(S), Expected = 10.08, Std = 0.6600, ChiSquare = 1.0863e-08 1.W125 HE3 = 5.806(S), Expected = 7.31, Std = 0.4100, ChiSquare = 2.4418e-04 1.W125 HZ2 = 4.655(A), Expected = 7.28, Std = 0.3300, ChiSquare = 1.7979e-15 1.W125 SRO Rule Break>> HZ2 > HA : 0.998550724637681 1.N129 H = 10.684(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.9872e-04 1.A130 H = 10.346(S), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4800e-04 1.R147 HD3 = 2.128(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.8515e-04 1.V149 HB = 0.409(S), Expected = 1.98, Std = 0.3200, ChiSquare = 9.1367e-07 1.I150 HD11 = -0.563(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8175e-05 1.I150 HD12 = -0.563(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8175e-05 1.I150 HD13 = -0.563(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.8175e-05