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 :: 179.613 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.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.29 Q 0.2 K 0.03 E 0.01 C Shift Assignments>> C :: 174.169 CA :: 55.088 CB :: 31.680 CG :: 33.050 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 :: 8.670 HA :: 4.614 HB2 :: 2.066 HB3 :: 1.842 HG2 :: 2.309 HG3 :: 2.186 HE21 :: 7.515 HE22 :: 6.860 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 :: 121.838 NE2 :: 112.178 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 A 0.22 C 0.2 G 0.01 C Shift Assignments>> C :: 177.009 CA :: 53.323 CB :: 41.993 CG :: 26.633 CD1 :: 22.127 CD2 :: 23.774 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 :: 7.826 HA :: 4.655 HB2 :: 1.353 HB3 :: 1.201 HG :: 1.338 HD11 :: 0.632 HD12 :: 0.632 HD13 :: 0.632 HD21 :: 0.166 HD22 :: 0.166 HD23 :: 0.166 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 :: 122.198 Ave N Shift Values>> N :: 121.86(3.9) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.12 D 0.11 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 E 0.04 A 0.04 F 0.04 Y 0.03 S 0.01 C Shift Assignments>> C :: 174.668 CA :: 55.242 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.588 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 :: 123.144 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.4 V 0.36 C 0.14 W 0.03 I 0.01 C Shift Assignments>> C :: 175.276 CA :: 63.039 CB :: 31.890 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 :: 4.372 HB2 :: 1.860 HB3 :: 1.860 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.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.17 Y 0.09 E 0.09 F 0.07 M 0.05 D 0.05 L 0.01 C Shift Assignments>> C :: 174.626 CA :: 53.924 CB :: 37.366 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.170 HA :: 4.450 HB2 :: 1.958 HB3 :: 1.648 HG2 :: 2.324 HG3 :: 2.257 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.446 Ave N Shift Values>> N :: 120.09(3.57) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.07 M 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 174.445 CA :: 56.283 CB :: 29.825 CG :: 36.450 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 :: 8.648 HA :: 3.975 HB2 :: 1.774 HB3 :: 1.774 HG2 :: 2.143 HG3 :: 2.075 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.699 Ave N Shift Values>> N :: 120.67(3.48) 1.I8 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.H59 1.H59 C Shift Assignments>> C :: 173.780 CA :: 61.347 CB :: 35.659 CG1 :: 13.479(S) CG2 :: 17.079 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 :: 8.050 HA :: 3.416 HB :: 1.345 HG12 :: 0.324 HG13 :: 0.324 HG21 :: -0.398(S) HG22 :: -0.398(S) HG23 :: -0.398(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 :: 122.906 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CG1 > CG2 : 0.9944) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.18 M 0.03 D 0.03 Y 0.02 F 0.02 E 0.01 C Shift Assignments>> C :: 172.721 CA :: 50.695 CB :: 37.106 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 :: 6.932 HA :: 4.495 HB2 :: 2.816 HB3 :: 2.816 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 :: 121.516 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.72 P 0.12 C 0.1 I 0.03 C Shift Assignments>> C :: 175.953 CA :: 67.238 CB :: 31.394 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 :: 3.847 HB2 :: 2.233 HB3 :: 1.949 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.2 K 0.07 Q 0.04 C Shift Assignments>> C :: 179.916 CA :: 59.766 CB :: 29.037 CG :: 36.080 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 :: 7.985 HA :: 4.081 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.226 HG3 :: 2.226 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 :: 116.886 Ave N Shift Values>> N :: 120.67(3.48) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 K 0.15 M 0.14 R 0.13 H 0.12 W 0.1 E 0.09 Q 0.05 V 0.02 HN Overlap>> 1.E134 1.E134 C Shift Assignments>> C :: 179.073 CA :: 57.091 CB :: 31.926 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.331 HA :: 4.248 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.345 Ave N Shift Values>> N :: 120.09(3.57) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.28 R 0.08 G 0.02 A 0.01 HN Overlap>> 1.Q25 1.Q25 1.E35 1.E35 C Shift Assignments>> C :: 179.355 CA :: 57.913 CB :: 42.268 CG :: 26.557 CD1 :: 21.556 CD2 :: 25.711 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 :: 8.082 HA :: 3.720 HB2 :: 1.286 HB3 :: 1.286 HG :: 1.399 HD11 :: 0.345 HD12 :: 0.345 HD13 :: 0.345 HD21 :: 0.018 HD22 :: 0.018 HD23 :: 0.018 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.477 Ave N Shift Values>> N :: 121.86(3.9) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.22 Y 0.16 N 0.11 F 0.1 M 0.07 I 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 178.537 CA :: 55.905 CB :: 37.123 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 :: 8.977 HA :: 4.756 HB2 :: 2.788 HB3 :: 2.788 HD21 :: 7.537 HD22 :: 7.370 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 :: 117.213 ND2 :: 110.559 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 V 0.28 K 0.09 Q 0.07 M 0.05 W 0.04 R 0.03 P 0.02 H 0.02 I 0.01 E 0.01 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 180.071 CA :: 60.545 CB :: 33.554 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.656 HA :: 4.210 HB2 :: 1.850 HB3 :: 1.850 HG2 :: 1.521 HG3 :: 1.521 HD2 :: 1.685 HD3 :: 1.585 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.052 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.448 CA :: 67.899 CB :: 30.761 CG2 :: 23.040 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 :: 7.959 HA :: 3.410 HB :: 2.221 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.951 HG22 :: 0.951 HG23 :: 0.951 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 121.14(4.54) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 R 0.23 L 0.21 K 0.2 G 0.04 I 0.03 C Shift Assignments>> C :: 178.359 CA :: 58.911 CB :: 43.000 CD1 :: 25.630 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 :: 8.609 HA :: 3.773 HB2 :: 2.086 HB3 :: 1.782 HD11 :: 0.930 HD12 :: 0.930 HD13 :: 0.930 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.864 Ave N Shift Values>> N :: 121.86(3.9) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.28 C 0.24 Y 0.21 F 0.15 E 0.08 M 0.01 C Shift Assignments>> C :: 181.254 CA :: 60.025 CB :: 37.567 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 :: 4.629 HB2 :: 3.247 HB3 :: 3.247 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.848 Ave N Shift Values>> N :: 120.52(4.2) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.27 K 0.19 G 0.03 HN Overlap>> 1.V154 1.V154 C Shift Assignments>> C :: 178.612 CA :: 58.847 CB :: 30.293 CG :: 29.033 CD :: 42.950 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 :: 8.348 HA :: 4.071 HB2 :: 1.937 HB3 :: 1.937 HG2 :: 1.883 HG3 :: 1.883 HD2 :: 3.260 HD3 :: 3.260 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 :: 121.997 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.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.11 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 HN Overlap>> 1.L34 1.L34 C Shift Assignments>> C :: 177.488 CA :: 54.716 CB :: 41.026 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 :: 8.263 HA :: 4.322 HB2 :: 1.934 HB3 :: 1.934 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.667 Ave N Shift Values>> N :: 121.86(3.9) 1.G21 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 :: 173.358 CA :: 46.997 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.080 HA2 :: 4.037 HA3 :: 4.037 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.005 Ave N Shift Values>> N :: 109.67(3.87) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.27 C Shift Assignments>> C :: 175.087 CA :: 63.161 CB :: 31.318 CG2 :: 21.259 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 :: 4.143 HB :: 1.910 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 121.718 Ave N Shift Values>> N :: 121.14(4.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.03 C 0.03 M 0.02 C Shift Assignments>> C :: 178.231 CA :: 52.041 CB :: 20.444 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.348 HA :: 4.527 HB1 :: 1.313 HB2 :: 1.313 HB3 :: 1.313 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.941 Ave N Shift Values>> N :: 123.23(3.54) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.027 CA :: 45.841 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.541 HA2 :: 4.120 HA3 :: 4.120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.772 Ave N Shift Values>> N :: 109.67(3.87) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.22 E 0.19 M 0.02 I 0.02 R 0.01 HN Overlap>> 1.L13 1.E60 1.L13 1.E60 C Shift Assignments>> C :: 175.046 CA :: 57.498 CB :: 29.101 CG :: 34.700 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 :: 8.140 HA :: 4.089 HB2 :: 2.101 HB3 :: 1.909 HG2 :: 2.292 HG3 :: 2.292 HE21 :: 6.894 HE22 :: 7.516 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.517 NE2 :: 112.059 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 HN Overlap>> 1.N102 1.N102 C Shift Assignments>> C :: 175.083 CA :: 55.935 CB :: 29.667 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 :: 7.758 HA :: 4.957 HB2 :: 2.645 HB3 :: 2.645 HE1 :: 9.860 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 :: 119.066 NE1 :: 129.443 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.29 K 0.13 G 0.13 C Shift Assignments>> C :: 174.986 CA :: 53.999 CB :: 34.079 CG :: 27.620 CD :: 43.340 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 :: 9.199 HA :: 4.420 HB2 :: 1.830 HB3 :: 1.674 HG2 :: 1.590 HG3 :: 1.461 HD2 :: 3.158 HD3 :: 3.071 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 :: 118.968 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.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 I 0.15 C 0.14 L 0.04 D 0.03 C Shift Assignments>> C :: 177.383 CA :: 58.830 CB :: 39.848 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 :: 10.426 HA :: 5.666 HB2 :: 3.002 HB3 :: 2.656 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.273 Ave N Shift Values>> N :: 120.45(4.18) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.2 I 0.02 C Shift Assignments>> C :: 174.933 CA :: 59.587 CB :: 36.027 CG1 :: 21.259 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 :: 9.386 HA :: 4.667 HB :: 2.297 HG11 :: 0.968 HG12 :: 0.968 HG13 :: 0.968 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 116.227 Ave N Shift Values>> N :: 121.14(4.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.17 D 0.13 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 175.415 CA :: 55.984 CB :: 42.407 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 :: 8.799 HA :: 4.730 HB2 :: 2.551 HB3 :: 2.551 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 120.65(3.86) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> C :: 176.188 CA :: 61.806 CB :: 31.994 CG1 :: 22.142 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 :: 7.992 HA :: 4.101 HB :: 1.863 HG11 :: 0.838 HG12 :: 0.838 HG13 :: 0.838 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 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 :: 122.651 Ave N Shift Values>> N :: 121.14(4.54) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.3 C Shift Assignments>> C :: 176.990 CA :: 56.914 CB :: 41.236 CD1 :: 24.813 CD2 :: 23.360 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 :: 8.950 HA :: 4.210 HB2 :: 1.665 HB3 :: 1.665 HG :: 1.668 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 HD21 :: 0.885 HD22 :: 0.885 HD23 :: 0.885 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 :: 127.844 Ave N Shift Values>> N :: 121.86(3.9) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.142 CA :: 44.828 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.391 HA2 :: 4.093 HA3 :: 3.774 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.778 Ave N Shift Values>> N :: 109.67(3.87) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.17 A 0.14 R 0.06 G 0.03 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 176.932 CA :: 53.566 CB :: 42.688 CG :: 26.810 CD1 :: 25.782 CD2 :: 22.276 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 :: 8.266 HA :: 4.336 HB2 :: 1.523 HB3 :: 1.523 HG :: 1.513 HD11 :: 0.623 HD12 :: 0.623 HD13 :: 0.623 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 115.760 Ave N Shift Values>> N :: 121.86(3.9) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 K 0.11 I 0.06 Q 0.05 M 0.01 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 177.774 CA :: 56.387 CB :: 28.929 CG :: 36.410 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 :: 8.000 HA :: 4.185 HB2 :: 2.224 HB3 :: 2.011 HG2 :: 2.334 HG3 :: 2.334 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.505 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.38 E 0.18 K 0.01 HN Overlap>> 1.F53 1.F53 C Shift Assignments>> C :: 179.308 CA :: 60.750 CB :: 29.174 CG :: 37.021 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 :: 8.980 HA :: 3.708 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.265 HG3 :: 2.198 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.847 Ave N Shift Values>> N :: 120.67(3.48) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.25 K 0.06 Q 0.02 C Shift Assignments>> C :: 178.548 CA :: 59.310 CB :: 28.675 CG :: 36.530 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.214 HA :: 4.071 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 2.294 HG3 :: 2.294 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.181 Ave N Shift Values>> N :: 120.67(3.48) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.550 CA :: 60.069 CB :: 63.309 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.625 HA :: 4.439 HB2 :: 3.791 HB3 :: 3.791 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.333 Ave N Shift Values>> N :: 116.28(3.52) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.27 A 0.07 R 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 179.196 CA :: 56.904 CB :: 41.143 CG :: 25.850 CD1 :: 21.516 CD2 :: 26.092 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 :: 7.678 HA :: 4.085 HB2 :: 1.755 HB3 :: 1.419 HG :: 1.762 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 HD21 :: 0.666 HD22 :: 0.666 HD23 :: 0.666 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.038 Ave N Shift Values>> N :: 121.86(3.9) 1.G40 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 :: 174.336 CA :: 46.295 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.045 HA2 :: 4.091 HA3 :: 3.912 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.809 Ave N Shift Values>> N :: 109.67(3.87) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.560 CA :: 58.677 CB :: 63.822 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.453 HA :: 4.458 HB2 :: 3.996 HB3 :: 3.980 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 :: 112.756 Ave N Shift Values>> N :: 116.28(3.52) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.43 C Shift Assignments>> C :: 174.506 CA :: 60.523 CB :: 32.539 CG1 :: 23.494 CG2 :: 21.250 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 :: 7.338 HA :: 4.282 HB :: 2.049 HG11 :: 1.127 HG12 :: 1.127 HG13 :: 1.127 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 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 :: 125.910 Ave N Shift Values>> N :: 121.14(4.54) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.38 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 173.874 CA :: 63.786 CB :: 31.928 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 :: 4.229 HB2 :: 2.275 HB3 :: 1.747 HG2 :: 2.025 HG3 :: 2.025 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.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 G 0.13 C 0.02 C Shift Assignments>> C :: 176.437 CA :: 48.741 CB :: 20.168 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.030 HA :: 4.681 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.200 Ave N Shift Values>> N :: 123.23(3.54) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.34 C 0.34 I 0.18 Y 0.02 E 0.02 P 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 174.366 CA :: 62.589 CB :: 35.154 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 :: 4.660 HB2 :: 2.503 HB3 :: 2.167 HG2 :: 2.020 HG3 :: 1.856 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.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.2 C 0.09 C Shift Assignments>> C :: 177.574 CA :: 50.627 CB :: 22.082 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.522 HA :: 5.541 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.800 Ave N Shift Values>> N :: 123.23(3.54) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 E 0.14 W 0.13 Q 0.13 C 0.12 K 0.08 M 0.06 C Shift Assignments>> C :: 173.253 CA :: 56.435 CB :: 30.086 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.032 HA :: 5.159 HB2 :: 3.233 HB3 :: 2.479 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.565 Ave N Shift Values>> N :: 120.17(4.64) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 A 0.21 C 0.13 K 0.06 C Shift Assignments>> C :: 175.095 CA :: 52.469 CB :: 22.918 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.439 HA :: 4.967 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.594 Ave N Shift Values>> N :: 123.23(3.54) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.28 L 0.08 R 0.01 C Shift Assignments>> C :: 174.111 CA :: 54.410 CB :: 45.841 CD2 :: 26.771 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 :: 8.576 HA :: 5.231 HB2 :: 1.640 HB3 :: 1.226 HG :: 1.609 HD11 :: 0.921 HD12 :: 0.921 HD13 :: 0.921 HD21 :: 0.700 HD22 :: 0.700 HD23 :: 0.700 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 :: 123.098 Ave N Shift Values>> N :: 121.86(3.9) 1.L50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.32 L 0.3 D 0.08 F 0.06 G 0.06 C 0.05 K 0.05 Y 0.03 C Shift Assignments>> C :: 173.769 CA :: 55.887 CB :: 43.469 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 :: 9.805 HA :: 4.570 HB2 :: 3.097(S) HB3 :: 3.097(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 :: 127.340 Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.31 A 0.15 L 0.11 C Shift Assignments>> C :: 173.773 CA :: 53.490 CB :: 46.938 CD1 :: 23.034 CD2 :: 25.477 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 :: 8.171 HA :: 5.101 HG :: 1.693 HD11 :: 1.050 HD12 :: 1.050 HD13 :: 1.050 HD21 :: 0.361 HD22 :: 0.361 HD23 :: 0.361 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 :: 122.895 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.31 C 0.2 R 0.05 C Shift Assignments>> C :: 175.858 CA :: 53.954 CB :: 44.762 CG :: 27.620 CD1 :: 24.840 CD2 :: 26.211 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 :: 9.616 HA :: 5.849 HB2 :: 2.305 HB3 :: 2.305 HG :: 1.437 HD11 :: 0.731 HD12 :: 0.731 HD13 :: 0.731 HD21 :: 0.566 HD22 :: 0.566 HD23 :: 0.566 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 :: 130.883 Ave N Shift Values>> N :: 121.86(3.9) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.15 F 0.09 Y 0.07 C 0.06 K 0.06 HN Overlap>> 1.E36 1.E36 C Shift Assignments>> C :: 170.984 CA :: 54.113 CB :: 40.775 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.037 HA :: 5.360 HB2 :: 2.948 HB3 :: 2.948 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.931 Ave N Shift Values>> N :: 120.45(4.18) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.3 P 0.28 C 0.2 W 0.07 I 0.04 R 0.02 E 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 175.603 CA :: 62.220 CB :: 31.308 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 :: 4.467 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 0.7 C 0.28 C Shift Assignments>> C :: 176.585 CA :: 54.735 CB :: 40.947 CG :: 27.240 CD1 :: 24.840 CD2 :: 24.832 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 :: 8.434 HA :: 4.238 HB2 :: 1.564 HB3 :: 1.433 HG :: 1.377 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 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 :: 124.323 Ave N Shift Values>> N :: 121.86(3.9) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 HN Overlap>> 1.K135 1.K135 C Shift Assignments>> C :: 175.372 CA :: 59.653 CB :: 72.434 CG2 :: 21.331 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 :: 7.119 HA :: 4.717 HB :: 4.846 HG21 :: 1.247 HG22 :: 1.247 HG23 :: 1.247 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 :: 114.735 Ave N Shift Values>> N :: 115.42(4.75) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.04 C 0.02 C Shift Assignments>> C :: 180.791 CA :: 55.260 CB :: 17.721 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.999 HA :: 4.222 HB1 :: 1.504 HB2 :: 1.504 HB3 :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.805 Ave N Shift Values>> N :: 123.23(3.54) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.2 K 0.12 R 0.1 I 0.05 E 0.04 C Shift Assignments>> C :: 178.571 CA :: 59.347 CB :: 27.309 CG :: 33.968 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 :: 8.667 HA :: 4.212 HB2 :: 2.433 HB3 :: 2.221 HG2 :: 2.707 HG3 :: 2.516 HE21 :: 7.690 HE22 :: 6.851 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.523 NE2 :: 109.544 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.16 W 0.15 E 0.08 R 0.08 H 0.06 P 0.05 I 0.04 K 0.04 Q 0.03 M 0.02 HN Overlap>> 1.I8 1.I8 C Shift Assignments>> C :: 177.336 CA :: 60.646 CB :: 30.935 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 :: 8.016 HA :: 4.453 HB2 :: 3.536 HB3 :: 3.536 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.999 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 K 0.13 E 0.12 Q 0.1 H 0.09 R 0.08 I 0.08 M 0.01 V 0.01 HN Overlap>> 1.Q25 1.S189 1.Q25 1.S189 C Shift Assignments>> C :: 180.184 CA :: 58.933 CB :: 29.099 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 :: 8.169 HA :: 4.116 HB2 :: 2.118 HB3 :: 2.118 HG2 :: 2.414 HG3 :: 2.414 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.622 Ave N Shift Values>> N :: 120.67(3.48) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.19 F 0.17 N 0.13 E 0.08 D 0.06 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 177.743 CA :: 56.088 CB :: 38.014 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 :: 8.195 HA :: 4.463 HB2 :: 2.918 HB3 :: 2.918 HD21 :: 6.992 HD22 :: 7.684 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 :: 118.943 ND2 :: 112.770 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.2 Y 0.18 F 0.14 E 0.02 C Shift Assignments>> C :: 177.695 CA :: 61.141 CB :: 38.043 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 :: 8.341 HA :: 4.252 HB2 :: 3.252 HB3 :: 3.252 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.926 Ave N Shift Values>> N :: 120.45(4.18) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.14 H 0.13 M 0.12 W 0.12 K 0.11 E 0.11 Q 0.07 V 0.02 C Shift Assignments>> C :: 178.196 CA :: 57.108 CB :: 31.439 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 :: 8.523 HA :: 3.556 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.720 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.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 R 0.11 C Shift Assignments>> C :: 179.511 CA :: 60.078 CB :: 32.388 CE :: 41.979 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.636 HA :: 3.804 HB2 :: 1.926 HB3 :: 1.926 HG2 :: 1.415 HG3 :: 1.415 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.854 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.39 R 0.05 C Shift Assignments>> C :: 178.089 CA :: 58.624 CB :: 32.138 CG :: 24.844 CD :: 29.194 CE :: 44.897(S) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.144 HA :: 4.038 HB2 :: 1.883 HB3 :: 1.800 HG2 :: 1.338 HG3 :: 1.338 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.961 HE3 :: 2.961 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.913 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 E 0.13 K 0.11 H 0.1 Q 0.1 R 0.09 I 0.06 M 0.02 V 0.01 C Shift Assignments>> C :: 178.355 CA :: 58.923 CB :: 29.486 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 :: 8.299 HA :: 3.774 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.283 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I67 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.082 CA :: 66.151 CB :: 38.691 CG1 :: 14.146(S) CG2 :: 17.503 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 :: 8.526 HA :: 3.541 HB :: 1.784 HG12 :: 0.830 HG13 :: 0.830 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 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 :: 117.142 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CG1 > CG2 : 0.9944) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 K 0.11 Q 0.09 I 0.08 M 0.02 C Shift Assignments>> C :: 179.120 CA :: 58.733 CB :: 29.461 CG :: 35.736 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.959 HA :: 4.102 HB2 :: 2.117 HB3 :: 2.117 HG2 :: 2.405 HG3 :: 2.405 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 :: 116.344 Ave N Shift Values>> N :: 120.67(3.48) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 C 0.14 H 0.12 Q 0.11 R 0.11 K 0.11 I 0.03 M 0.03 V 0.01 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 178.478 CA :: 58.159 CB :: 29.645 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 :: 7.880 HA :: 4.117 HB2 :: 2.131 HB3 :: 2.131 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 :: 118.028 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.33 R 0.23 A 0.08 G 0.01 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> C :: 177.073 CA :: 54.829 CB :: 42.104 CG :: 26.528 CD1 :: 27.867 CD2 :: 22.550 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 :: 7.874 HA :: 4.246 HB2 :: 1.765 HB3 :: 1.448 HG :: 1.913 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 118.119 Ave N Shift Values>> N :: 121.86(3.9) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 C Shift Assignments>> C :: 177.338 CA :: 58.949 CB :: 32.166 CG :: 24.688 CD :: 29.232 CE :: 41.984 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.223 HA :: 3.937 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 1.495 HG3 :: 1.495 HD2 :: 1.738 HD3 :: 1.738 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.054 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.800 CA :: 44.822 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.638 HA2 :: 3.898 HA3 :: 3.898 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.944 Ave N Shift Values>> N :: 109.67(3.87) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.24 Q 0.22 R 0.18 M 0.05 C Shift Assignments>> C :: 175.196 CA :: 55.898 CB :: 28.195 CG :: 32.610 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 :: 7.613 HA :: 4.236 HB2 :: 2.036 HB3 :: 1.864 HG2 :: 2.284 HG3 :: 2.284 HE21 :: 7.325 HE22 :: 6.760 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 :: 119.548 NE2 :: 111.900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.15 Q 0.05 K 0.03 I 0.01 C Shift Assignments>> C :: 175.438 CA :: 55.954 CB :: 30.686 CG :: 36.270 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 :: 8.642 HA :: 4.358 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 2.003 HG3 :: 2.003 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.107 Ave N Shift Values>> N :: 120.67(3.48) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.47 C Shift Assignments>> C :: 175.548 CA :: 60.903 CB :: 34.454 CG1 :: 21.310 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 :: 8.347 HA :: 4.307 HB :: 1.836 HG11 :: 0.738 HG12 :: 0.738 HG13 :: 0.738 HG21 :: 0.738 HG22 :: 0.738 HG23 :: 0.738 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 :: 123.285 Ave N Shift Values>> N :: 121.14(4.54) 1.S76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.742 CB :: 63.724 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.955 HA :: 4.691 HB2 :: 4.377 HB3 :: 3.425 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 :: 120.871 Ave N Shift Values>> N :: 116.28(3.52) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.19 R 0.01 C Shift Assignments>> C :: 176.544 CA :: 63.878 CB :: 32.008 CG :: 27.470 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 :: 4.533 HB2 :: 2.361 HB3 :: 1.987 HG2 :: 2.072 HD2 :: 3.948 HD3 :: 3.948 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.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.41 R 0.11 C Shift Assignments>> C :: 177.785 CA :: 56.891 CB :: 33.042 CG :: 25.190 CD :: 29.190 CE :: 41.990 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 :: 8.108 HA :: 4.099 HB2 :: 1.810 HB3 :: 1.810 HG2 :: 1.387 HG3 :: 1.387 HD2 :: 1.663 HD3 :: 1.663 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 :: 116.379 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 1.Q140 1.Q140 C Shift Assignments>> C :: 175.064 CA :: 63.526 CB :: 31.567 CG1 :: 22.374 CG2 :: 21.085 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 :: 7.089 HA :: 3.529 HB :: 1.690 HG11 :: 0.438 HG12 :: 0.438 HG13 :: 0.438 HG21 :: -0.017 HG22 :: -0.017 HG23 :: -0.017 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 :: 118.008 Ave N Shift Values>> N :: 121.14(4.54) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.21 C 0.21 I 0.18 E 0.06 M 0.01 D 0.01 C Shift Assignments>> C :: 173.587 CA :: 58.820 CB :: 38.144 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 :: 9.573 HA :: 4.141 HB2 :: 2.822 HB3 :: 2.822 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 :: 133.566 Ave N Shift Values>> N :: 120.52(4.2) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.31 D 0.1 F 0.06 K 0.06 C 0.05 G 0.05 Y 0.03 C Shift Assignments>> C :: 171.786 CA :: 55.497 CB :: 43.356 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.852 HA :: 5.185 HB2 :: 3.389 HB3 :: 2.730 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 :: 128.910 Ave N Shift Values>> N :: 120.45(4.18) 1.M82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> N 0.46 D 0.19 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 170.734 CA :: 53.573 CB :: 38.914 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 11.978(S) HA :: 4.439 HB2 :: 1.818 HB3 :: 1.551 HG2 :: 2.340 HG3 :: 2.340 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 133.516(S) Ave N Shift Values>> N :: 120.09(3.57) 1.K83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.16 N 0.13 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> C :: 175.363 CA :: 54.344 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 :: 5.749(S) HA :: 4.107 HB2 :: 1.284 HB3 :: 1.284 HE2 :: 3.043 HE3 :: 2.949 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 :: 114.594 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.17 H 0.15 K 0.15 C 0.11 W 0.11 R 0.1 E 0.1 M 0.04 L 0.02 C Shift Assignments>> C :: 175.769 CA :: 54.955 CB :: 29.002 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) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.433 CA :: 61.527 CB :: 69.934 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 :: 8.600 HA :: 4.587 HB :: 4.366 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 118.096 Ave N Shift Values>> N :: 115.42(4.75) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 177.494 CA :: 59.677 CB :: 40.131 CG2 :: 17.703 CD1 :: 13.351 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 :: 7.982 HA :: 4.467 HB :: 1.768 HG12 :: 1.593 HG13 :: 1.131 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 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 :: 121.144 Ave N Shift Values>> N :: 121.46(4.28) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 173.456 CA :: 46.341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.110 HA2 :: 4.069 HA3 :: 3.913 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.073 Ave N Shift Values>> N :: 109.67(3.87) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.22 E 0.18 M 0.1 Y 0.09 F 0.06 K 0.02 D 0.02 I 0.01 C Shift Assignments>> C :: 174.660 CA :: 54.463 CB :: 36.782 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 :: 8.942 HB2 :: 2.955 HB3 :: 2.955 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 :: 114.795 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 176.447 CA :: 58.936 CB :: 65.564 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.540 HA :: 4.632 HB2 :: 4.026 HB3 :: 4.026 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 :: 107.069 Ave N Shift Values>> N :: 116.28(3.52) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.2 P 0.11 W 0.09 R 0.04 K 0.04 E 0.03 Q 0.02 H 0.02 V 0.01 HN Overlap>> 1.A198 1.A198 C Shift Assignments>> C :: 177.433 CA :: 61.281 CB :: 28.049 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.780 HA :: 4.417 HB2 :: 2.906 HB3 :: 2.906 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.698 Ave N Shift Values>> N :: 120.17(4.64) 1.G91 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 :: 173.765 CA :: 46.758 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.365 HA2 :: 3.893 HA3 :: 3.893 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.348 Ave N Shift Values>> N :: 109.67(3.87) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 179.809 CA :: 66.723 CB :: 67.813 CG2 :: 23.360 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 :: 6.936 HA :: 3.852 HB :: 4.028 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 121.955 Ave N Shift Values>> N :: 115.42(4.75) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.I96 1.I96 C Shift Assignments>> C :: 177.243 CA :: 63.996 CB :: 36.381 CG1 :: 28.732 CG2 :: 17.403 CD1 :: 10.802 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 :: 8.806 HA :: 3.363 HB :: 1.673 HG12 :: 1.122 HG13 :: 0.975 HG21 :: 0.467 HG22 :: 0.467 HG23 :: 0.467 HD11 :: 0.296 HD12 :: 0.296 HD13 :: 0.296 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 :: 121.326 Ave N Shift Values>> N :: 121.46(4.28) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.629 CA :: 47.256 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.000 HA2 :: 3.965 HA3 :: 3.457 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.756 Ave N Shift Values>> N :: 109.67(3.87) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.31 R 0.13 G 0.01 C Shift Assignments>> C :: 178.206 CA :: 60.449 CB :: 42.244 CD1 :: 29.937 CD2 :: 25.410 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 :: 7.934 HA :: 3.996 HG :: 1.847 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.138 Ave N Shift Values>> N :: 121.86(3.9) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 HN Overlap>> 1.I93 1.I93 C Shift Assignments>> C :: 177.774 CA :: 67.497 CB :: 37.363 CG2 :: 17.019 CD1 :: 13.869 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 :: 8.754 HA :: 3.276 HB :: 1.734 HG12 :: 2.001 HG13 :: 0.659 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 HD11 :: 0.376 HD12 :: 0.376 HD13 :: 0.376 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 :: 121.239 Ave N Shift Values>> N :: 121.46(4.28) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.08 K 0.07 I 0.05 V 0.03 M 0.03 C Shift Assignments>> C :: 178.275 CA :: 59.273 CB :: 30.035 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.153 HA :: 4.255 HB2 :: 3.000 HB3 :: 3.000 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 :: 118.189 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 178.810 CA :: 54.921 CB :: 17.674 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.632 HA :: 4.079 HB1 :: 1.482 HB2 :: 1.482 HB3 :: 1.482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.339 Ave N Shift Values>> N :: 123.23(3.54) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.555 CA :: 65.738 CB :: 31.696 CG2 :: 22.142 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 :: 8.404 HA :: 3.385 HB :: 1.940 HG11 :: 0.844 HG12 :: 0.844 HG13 :: 0.844 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 117.535 Ave N Shift Values>> N :: 121.14(4.54) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 L 0.15 C 0.09 M 0.06 V 0.02 C Shift Assignments>> C :: 179.781 CA :: 54.354 CB :: 20.730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.293 HA :: 3.702 HB1 :: 0.804 HB2 :: 0.804 HB3 :: 0.804 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.661 Ave N Shift Values>> N :: 123.23(3.54) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.23 F 0.12 Y 0.12 C 0.09 L 0.09 C Shift Assignments>> C :: 173.274 CA :: 54.398 CB :: 39.401 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 :: 7.174 HA :: 4.955 HB2 :: 2.911 HB3 :: 2.645 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 :: 109.444 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>> D 0.33 N 0.18 L 0.18 F 0.1 Y 0.07 C 0.06 K 0.04 HN Overlap>> 1.W26 1.W26 C Shift Assignments>> C :: 176.039 CA :: 54.022 CB :: 40.593 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 :: 7.715 HA :: 5.203 HB2 :: 2.589 HB3 :: 2.335 HD22 :: 6.799 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 :: 119.093 ND2 :: 117.615 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.2 K 0.04 Q 0.01 M 0.01 HN Overlap>> 1.M179 1.M179 C Shift Assignments>> C :: 175.554 CA :: 59.875 CB :: 29.618 CG :: 36.460 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 :: 8.374 HA :: 3.943 HB2 :: 2.408 HB3 :: 2.087 HG2 :: 2.580 HG3 :: 2.580 HE21 :: 7.824 HE22 :: 7.003 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.544 NE2 :: 111.624 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 D 0.2 Y 0.14 F 0.14 C 0.1 L 0.08 I 0.01 C Shift Assignments>> C :: 176.375 CA :: 54.779 CB :: 39.204 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 :: 9.142 HA :: 4.460 HB2 :: 2.738 HB3 :: 2.738 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 :: 115.304 Ave N Shift Values>> N :: 120.65(3.86) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.47 R 0.02 C Shift Assignments>> C :: 175.584 CA :: 56.761 CB :: 34.517 CG :: 24.030 CD :: 29.463 CE :: 41.940 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.447 HA :: 4.427 HB2 :: 1.518 HB3 :: 1.195 HG2 :: 1.267 HG3 :: 1.267 HD2 :: 1.667 HD3 :: 1.667 HE2 :: 3.147 HE3 :: 3.030 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.705 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.26 R 0.26 G 0.03 C Shift Assignments>> C :: 175.196 CA :: 54.913 CB :: 42.888 CG :: 28.160 CD1 :: 26.021 CD2 :: 25.027 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 :: 7.061 HA :: 4.032 HB2 :: 1.041 HB3 :: 1.041 HG :: 1.267 HD11 :: 0.143 HD12 :: 0.143 HD13 :: 0.143 HD21 :: 0.142 HD22 :: 0.142 HD23 :: 0.142 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.779 Ave N Shift Values>> N :: 121.86(3.9) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.08 D 0.06 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.224 CA :: 43.475 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.447 HA2 :: 4.365 HA3 :: 3.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.186 Ave N Shift Values>> N :: 109.67(3.87) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.24 K 0.09 F 0.09 D 0.06 C 0.06 Y 0.05 G 0.03 C Shift Assignments>> C :: 176.820 CA :: 56.907 CB :: 43.196 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 :: 8.545 HA :: 5.289 HB2 :: 2.796 HB3 :: 2.796 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.405 Ave N Shift Values>> N :: 120.45(4.18) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.25 M 0.19 Q 0.18 K 0.08 C Shift Assignments>> C :: 177.777 CA :: 54.862 CB :: 30.484 CG :: 35.250 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.155 HA :: 4.523 HB2 :: 2.125 HB3 :: 1.789 HG2 :: 2.389 HG3 :: 2.389 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.061 Ave N Shift Values>> N :: 120.67(3.48) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 D 0.19 Y 0.19 L 0.15 C 0.09 N 0.06 K 0.04 I 0.02 HN Overlap>> 1.C220 1.C220 C Shift Assignments>> C :: 177.933 CA :: 56.252 CB :: 40.344 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 :: 9.078 HA :: 4.399 HB2 :: 2.625 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 :: 123.995 Ave N Shift Values>> N :: 120.65(3.86) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.703 CA :: 45.186 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.893 HA2 :: 3.811 HA3 :: 3.811 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.406 Ave N Shift Values>> N :: 109.67(3.87) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.853 CA :: 57.948 CB :: 64.448 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.461 HA :: 4.464 HB2 :: 3.867 HB3 :: 3.867 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 :: 112.098 Ave N Shift Values>> N :: 116.28(3.52) 1.V113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 179.053 CA :: 64.644 CB :: 31.994 CG1 :: 21.059 CG2 :: 21.870 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 :: 8.975 HA :: 4.058 HB :: 2.071 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.861 Ave N Shift Values>> N :: 121.14(4.54) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 L 0.3 K 0.19 R 0.17 G 0.01 HN Overlap>> 1.K115 1.K115 C Shift Assignments>> C :: 176.901 CA :: 57.005 CB :: 42.444 CG :: 27.454 CD2 :: 26.310 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 :: 7.885 HA :: 4.341 HB2 :: 1.602 HB3 :: 1.602 HG :: 1.677 HD11 :: 1.059 HD12 :: 1.059 HD13 :: 1.059 HD21 :: 0.946 HD22 :: 0.946 HD23 :: 0.946 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.368 Ave N Shift Values>> N :: 121.86(3.9) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.33 R 0.22 HN Overlap>> 1.L114 1.L114 C Shift Assignments>> C :: 178.076 CA :: 59.066 CB :: 31.673 CG :: 23.973 CD :: 28.103 CE :: 42.048 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.914 HA :: 3.104 HB2 :: 1.612 HB3 :: 1.612 HG2 :: 1.129 HG3 :: 0.903 HD2 :: 1.299 HD3 :: 0.969 HE2 :: 2.771 HE3 :: 2.771 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.425 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.21 R 0.12 E 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 177.900 CA :: 58.966 CB :: 27.879 CG :: 33.409 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 :: 7.107 HA :: 3.999 HB2 :: 2.142 HB3 :: 2.142 HG2 :: 2.463 HE21 :: 6.876 HE22 :: 7.552 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 :: 116.409 NE2 :: 112.306 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.22 Y 0.2 C 0.15 C Shift Assignments>> C :: 179.263 CA :: 61.384 CB :: 39.956 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.731 HA :: 4.378 HB2 :: 3.290 HB3 :: 3.154 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.180 Ave N Shift Values>> N :: 120.45(4.18) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 C Shift Assignments>> C :: 178.530 CA :: 57.798 CB :: 39.993 CG :: 26.261 CD1 :: 25.767 CD2 :: 22.419 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 :: 8.820 HA :: 3.668 HB2 :: 1.740 HB3 :: 1.222 HG :: 1.855 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 HD21 :: 0.379 HD22 :: 0.379 HD23 :: 0.379 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 :: 122.128 Ave N Shift Values>> N :: 121.86(3.9) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.494 CA :: 61.375 CB :: 62.715 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031 HA :: 4.271 HB2 :: 3.946 HB3 :: 3.946 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.004 Ave N Shift Values>> N :: 116.28(3.52) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.12 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 179.083 CA :: 58.932 CB :: 29.850 CG :: 36.530 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 :: 8.113 HA :: 4.079 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 2.208 HG3 :: 2.208 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.721 Ave N Shift Values>> N :: 120.67(3.48) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 176.373 CA :: 60.874 CB :: 70.499 CG2 :: 20.340 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 :: 7.434 HA :: 4.566 HB :: 4.364 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 103.711 Ave N Shift Values>> N :: 115.42(4.75) 1.E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.26 I 0.12 Q 0.04 K 0.04 M 0.03 C Shift Assignments>> C :: 177.178 CA :: 60.874 CB :: 30.380 CG :: 35.603 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 :: 7.340 HA :: 3.990 HB2 :: 2.460 HB3 :: 2.097 HG2 :: 2.233 HG3 :: 2.233 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 :: 126.212 Ave N Shift Values>> N :: 120.67(3.48) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.31 R 0.16 C Shift Assignments>> C :: 175.692 CA :: 54.879 CB :: 31.685 CG :: 25.106 CD :: 28.953 CE :: 42.010 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 :: 8.846 HA :: 4.615 HB2 :: 2.066 HB3 :: 1.633 HG2 :: 1.366 HG3 :: 1.366 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.964 HE3 :: 2.964 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.329 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.21 E 0.13 C Shift Assignments>> C :: 175.069 CA :: 55.587 CB :: 36.395 CG :: 33.708 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 6.803 HA :: 4.582 HB2 :: 2.018 HB3 :: 1.738 HG2 :: 2.718 HG3 :: 2.718 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.997 Ave N Shift Values>> N :: 120.09(3.57) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.474 CA :: 56.090 CB :: 62.930 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.012 HB2 :: 4.148 HB3 :: 4.148 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 :: 116.372 Ave N Shift Values>> N :: 116.28(3.52) 1.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.74 P 0.14 C 0.09 C Shift Assignments>> C :: 179.508 CA :: 66.610 CB :: 32.805 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 :: 4.538 HB2 :: 1.948 HB3 :: 1.948 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.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.38 E 0.19 K 0.01 C Shift Assignments>> C :: 178.922 CA :: 60.057 CB :: 28.921 CG :: 37.346 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 :: 8.932 HA :: 3.924 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 2.464 HG3 :: 2.464 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 :: 116.959 Ave N Shift Values>> N :: 120.67(3.48) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.27 C 0.16 I 0.09 D 0.06 L 0.04 N 0.03 E 0.01 C Shift Assignments>> C :: 179.871 CA :: 57.447 CB :: 39.011 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 :: 8.072 HA :: 4.639 HB2 :: 2.856 HB3 :: 2.856 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.006 Ave N Shift Values>> N :: 120.65(3.86) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.15 W 0.15 E 0.07 R 0.07 I 0.06 H 0.06 P 0.05 K 0.03 Q 0.03 M 0.02 HN Overlap>> 1.D196 1.D196 C Shift Assignments>> C :: 178.213 CA :: 60.802 CB :: 30.762 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 :: 8.954 HA :: 3.839 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.724 HG3 :: 1.724 HD2 :: 3.037 HD3 :: 3.037 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 :: 121.983 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.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.38 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.L164 1.L164 C Shift Assignments>> C :: 179.560 CA :: 55.208 CB :: 18.993 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.348 HA :: 4.298 HB1 :: 1.689 HB2 :: 1.689 HB3 :: 1.689 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.741 Ave N Shift Values>> N :: 123.23(3.54) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.12 W 0.12 K 0.11 R 0.1 E 0.08 H 0.08 M 0.08 Q 0.03 C Shift Assignments>> C :: 179.510 CA :: 59.453 CB :: 31.887 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.634 HA :: 3.920 HB2 :: 1.984 HB3 :: 1.984 HE2 :: 2.962 HE3 :: 2.962 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.36 C 0.1 C Shift Assignments>> C :: 178.198 CA :: 63.659 CB :: 26.465 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.135 HA :: 4.170 HB2 :: 3.089 HB3 :: 2.964 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.909 Ave N Shift Values>> N :: 120.17(4.64) 1.F133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 Y 0.19 F 0.18 C 0.16 C Shift Assignments>> C :: 177.577 CA :: 61.478 CB :: 39.204 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 :: 8.742 HA :: 4.066 HB2 :: 3.507 HB3 :: 3.265 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.371 Ave N Shift Values>> N :: 120.45(4.18) 1.E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.13 K 0.1 H 0.1 R 0.09 Q 0.09 I 0.07 M 0.02 V 0.02 HN Overlap>> 1.M12 1.M12 C Shift Assignments>> C :: 177.530 CA :: 59.080 CB :: 29.541 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 :: 8.378 HA :: 3.525 HB2 :: 2.221 HB3 :: 2.221 HG2 :: 2.643 HG3 :: 2.643 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.317 Ave N Shift Values>> N :: 120.67(3.48) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.35 R 0.1 HN Overlap>> 1.T56 1.T56 C Shift Assignments>> C :: 175.514 CA :: 55.355 CB :: 33.145 CG :: 24.886 CD :: 29.025 CE :: 42.076 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.074 HA :: 4.399 HB2 :: 2.055 HB3 :: 1.870 HG2 :: 1.574 HG3 :: 1.574 HD2 :: 1.686 HD3 :: 1.686 HE2 :: 2.982 HE3 :: 2.982 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 :: 114.675 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.14 Y 0.1 D 0.08 F 0.08 E 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 173.323 CA :: 53.902 CB :: 37.884 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 :: 7.474 HA :: 4.655 HB2 :: 2.901 HB3 :: 2.726 HD21 :: 7.296 HD22 :: 7.824 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 :: 121.386 ND2 :: 113.265 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 I 0.14 K 0.05 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.253 CA :: 58.991 CB :: 29.620 CG :: 36.530 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 :: 8.210 HA :: 3.811 HB2 :: 1.980 HB3 :: 1.980 HG2 :: 2.340 HG3 :: 2.201 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 :: 126.767 Ave N Shift Values>> N :: 120.67(3.48) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.43 I 0.03 C 0.03 C Shift Assignments>> C :: 181.457 CA :: 55.243 CB :: 18.525 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.241 HA :: 4.239 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.580 Ave N Shift Values>> N :: 123.23(3.54) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 177.508 CA :: 65.654 CB :: 37.440 CG1 :: 29.860 CG2 :: 17.506 CD1 :: 12.895 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 :: 8.882 HA :: 3.534 HB :: 1.379 HG12 :: 1.555 HG13 :: 0.559 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 HD11 :: 0.231 HD12 :: 0.231 HD13 :: 0.231 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.070 Ave N Shift Values>> N :: 121.46(4.28) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.18 K 0.15 R 0.14 I 0.02 P 0.02 E 0.01 M 0.01 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> C :: 176.941 CA :: 59.513 CB :: 27.429 CG :: 33.372 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 :: 7.088 HA :: 3.615 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.289 HG3 :: 2.289 HE21 :: 6.659 HE22 :: 6.046 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 :: 118.036 NE2 :: 110.167 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.47 I 0.02 C 0.02 HN Overlap>> 1.K157 1.K157 C Shift Assignments>> C :: 180.855 CA :: 54.563 CB :: 17.955 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.459 HA :: 4.105 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.351 Ave N Shift Values>> N :: 123.23(3.54) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 C Shift Assignments>> C :: 178.353 CA :: 55.061 CB :: 18.548 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.617 HA :: 4.151 HB1 :: 1.454 HB2 :: 1.454 HB3 :: 1.454 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.501 Ave N Shift Values>> N :: 123.23(3.54) 1.H143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.2 W 0.13 P 0.07 R 0.06 E 0.06 H 0.05 K 0.05 I 0.03 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.361 CA :: 60.833 CB :: 31.277 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.932 HA :: 3.777 HB2 :: 3.476 HB3 :: 2.926 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 :: 116.406 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 D 0.08 L 0.07 N 0.02 K 0.01 C Shift Assignments>> C :: 178.802 CA :: 57.676 CB :: 39.824 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 :: 8.737 HA :: 4.430 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.553 Ave N Shift Values>> N :: 120.65(3.86) 1.A145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.03 C 0.02 C Shift Assignments>> C :: 180.890 CA :: 55.197 CB :: 17.970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.340 HA :: 4.089 HB1 :: 1.487 HB2 :: 1.487 HB3 :: 1.487 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.177 Ave N Shift Values>> N :: 123.23(3.54) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.15 C Shift Assignments>> C :: 178.551 CA :: 66.183 CB :: 31.751 CG1 :: 23.181 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 :: 7.541 HA :: 3.618 HB :: 1.968 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 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 :: 118.784 Ave N Shift Values>> N :: 121.14(4.54) 1.A147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.44 I 0.03 C 0.03 C Shift Assignments>> C :: 180.560 CA :: 55.144 CB :: 18.437 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.670 HA :: 3.834 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.661 Ave N Shift Values>> N :: 123.23(3.54) 1.Q148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.26 K 0.23 E 0.15 M 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 177.023 CA :: 57.521 CB :: 29.171 CG :: 34.410 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 :: 7.866 HA :: 4.185 HB2 :: 2.194 HB3 :: 2.194 HG2 :: 2.540 HG3 :: 2.450 HE21 :: 6.917 HE22 :: 7.415 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.730 NE2 :: 111.788 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 I 0.07 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.427 CA :: 57.405 CB :: 29.795 CG :: 36.628 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 :: 7.786 HA :: 4.244 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.577 HG3 :: 2.577 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 :: 118.680 Ave N Shift Values>> N :: 120.67(3.48) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.128 CA :: 44.752 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.663 HA2 :: 4.310 HA3 :: 3.752 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.895 Ave N Shift Values>> N :: 109.67(3.87) 1.Q151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 E 0.07 M 0.07 R 0.02 C Shift Assignments>> C :: 175.692 CA :: 55.724 CB :: 29.489 CG :: 33.880 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 :: 8.338 HA :: 4.346 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.315 HG3 :: 2.315 HE21 :: 7.575 HE22 :: 6.831 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 :: 118.604 NE2 :: 112.721 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 R 0.14 I 0.13 W 0.12 Q 0.1 K 0.09 E 0.08 H 0.07 L 0.05 C Shift Assignments>> C :: 174.471 CA :: 58.748 CB :: 27.833 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.480 HA :: 4.398 HB2 :: 2.807 HB3 :: 2.807 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.607 Ave N Shift Values>> N :: 120.17(4.64) 1.R153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 G 0.06 K 0.06 C Shift Assignments>> C :: 176.132 CA :: 55.693 CB :: 30.919 CG :: 27.160 CD :: 43.306 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 :: 8.626 HA :: 4.392 HB2 :: 1.779 HB3 :: 1.779 HG2 :: 1.593 HG3 :: 1.593 HD2 :: 3.177 HD3 :: 3.177 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 :: 125.256 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.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.R19 1.R19 C Shift Assignments>> C :: 175.767 CA :: 62.282 CB :: 32.804 CG1 :: 20.981 CG2 :: 20.984 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 :: 8.308 HA :: 4.078 HB :: 2.048 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.894 HG22 :: 0.894 HG23 :: 0.894 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 :: 122.050 Ave N Shift Values>> N :: 121.14(4.54) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.08 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> C :: 175.993 CA :: 54.142 CB :: 41.510 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 :: 8.477 HA :: 4.603 HB2 :: 2.831 HB3 :: 2.643 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.775 Ave N Shift Values>> N :: 120.65(3.86) 1.D156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.2 F 0.11 N 0.11 Y 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 176.836 CA :: 54.651 CB :: 40.890 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 :: 8.343 HA :: 4.519 HB2 :: 2.723 HB3 :: 2.723 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.725 Ave N Shift Values>> N :: 120.65(3.86) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.16 HN Overlap>> 1.A141 1.A141 C Shift Assignments>> C :: 176.747 CA :: 56.841 CB :: 32.376 CG :: 25.070 CD :: 28.763 CE :: 41.990 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 :: 8.445 HA :: 4.138 HB2 :: 1.809 HB3 :: 1.809 HG2 :: 1.364 HG3 :: 1.364 HD2 :: 1.599 HD3 :: 1.599 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.340 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.296 CA :: 61.854 CB :: 33.332 CG1 :: 21.233 CG2 :: 20.919 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 :: 7.663 HA :: 3.963 HB :: 1.851 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.515 HG22 :: 0.515 HG23 :: 0.515 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 :: 119.418 Ave N Shift Values>> N :: 121.14(4.54) 1.N159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.23 C 0.07 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> C :: 174.014 CA :: 52.067 CB :: 39.413 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 :: 8.503 HA :: 4.884 HB3 :: 2.686 HD21 :: 7.545 HD22 :: 6.909 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 :: 122.686 ND2 :: 113.120 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 K 0.09 D 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 174.770 CA :: 57.737 CB :: 40.710 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 :: 8.467 HA :: 4.748 HB2 :: 2.796 HB3 :: 2.796 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.129 Ave N Shift Values>> N :: 120.45(4.18) 1.H161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.27 C 0.22 Q 0.2 K 0.12 E 0.03 H 0.03 R 0.03 N 0.02 W 0.01 C Shift Assignments>> C :: 171.563 CA :: 53.401 CB :: 34.339 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.317 HA :: 5.495 HB2 :: 2.511 HB3 :: 2.042 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.037 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> D 0.16 N 0.13 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> C :: 174.613 CA :: 54.301 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) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.14 I 0.06 C Shift Assignments>> C :: 172.267 CA :: 59.644 CB :: 42.915 CG1 :: 24.280 CG2 :: 19.234 CD1 :: 15.484 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 :: 8.472 HA :: 4.601 HB :: 1.569 HG12 :: 1.196 HG13 :: 1.196 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.532 HD12 :: 0.532 HD13 :: 0.532 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 121.46(4.28) 1.L164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.21 L 0.07 R 0.02 HN Overlap>> 1.A130 1.A130 C Shift Assignments>> C :: 173.378 CA :: 53.892 CB :: 45.339 CG :: 27.920 CD1 :: 27.652 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 :: 7.289 HA :: 4.714 HG :: 1.431 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.683 Ave N Shift Values>> N :: 121.86(3.9) 1.F165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.17 Y 0.13 D 0.12 C 0.07 R 0.04 I 0.02 N 0.01 C Shift Assignments>> C :: 174.387 CA :: 57.013 CB :: 41.476 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.407 HA :: 5.711 HB2 :: 2.821 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.732 Ave N Shift Values>> N :: 120.45(4.18) 1.N166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.38 L 0.28 R 0.14 D 0.1 C 0.04 F 0.01 C Shift Assignments>> C :: 173.143 CA :: 52.605 CB :: 44.032 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 :: 9.281 HA :: 4.849 HB2 :: 2.853 HB3 :: 2.766 HD21 :: 6.555 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.397 ND2 :: 103.040(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N167 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.42 D 0.26 L 0.08 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 176.566 CA :: 53.160 CB :: 39.523 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 :: 9.249 HA :: 5.926(S) HB2 :: 2.701 HB3 :: 2.623 HD21 :: 7.184 HD22 :: 5.964 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 125.625 ND2 :: 107.454 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 176.175 CA :: 62.449 CB :: 35.275 CG1 :: 21.238 CG2 :: 21.207 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 :: 9.349 HA :: 4.319 HB :: 2.023 HG11 :: 0.945 HG12 :: 0.945 HG13 :: 0.945 HG21 :: 0.798 HG22 :: 0.798 HG23 :: 0.798 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.694 Ave N Shift Values>> N :: 121.14(4.54) 1.D169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.16 N 0.14 F 0.14 Y 0.12 C 0.07 K 0.03 C Shift Assignments>> C :: 177.111 CA :: 54.948 CB :: 40.339 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 :: 9.679 HA :: 4.485 HB2 :: 3.312 HB3 :: 2.372 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 :: 128.578 Ave N Shift Values>> N :: 120.65(3.86) 1.G170 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 :: 174.292 CA :: 46.164 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.658 HA2 :: 4.115 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.089 Ave N Shift Values>> N :: 109.67(3.87) 1.H171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.14 H 0.14 C 0.14 K 0.12 W 0.09 E 0.07 Q 0.06 C Shift Assignments>> C :: 171.778 CA :: 54.711 CB :: 31.703 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.969 HA :: 4.950 HB2 :: 2.973 HB3 :: 2.973 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 :: 118.277 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.27 R 0.17 G 0.01 C Shift Assignments>> C :: 174.250 CA :: 54.328 CB :: 42.096 CG :: 27.920 CD1 :: 24.870 CD2 :: 26.163 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 :: 8.588 HA :: 4.798 HG :: 1.416 HD11 :: 0.994 HD12 :: 0.994 HD13 :: 0.994 HD21 :: 0.715 HD22 :: 0.715 HD23 :: 0.715 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 :: 122.870 Ave N Shift Values>> N :: 121.86(3.9) 1.Y173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.19 R 0.16 F 0.13 Y 0.09 D 0.07 C 0.06 I 0.01 C Shift Assignments>> C :: 174.390 CA :: 57.306 CB :: 42.332 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 :: 9.304 HA :: 5.689 HB2 :: 2.806 HB3 :: 2.681 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.402 Ave N Shift Values>> N :: 120.52(4.2) 1.E174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.28 C 0.24 Q 0.19 K 0.12 H 0.04 R 0.03 N 0.02 W 0.01 HN Overlap>> 1.A197 1.A197 C Shift Assignments>> C :: 176.310 CA :: 52.757 CB :: 34.162 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.196 HA :: 5.194 HB2 :: 2.173 HB3 :: 2.173 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.325 Ave N Shift Values>> N :: 120.67(3.48) 1.L175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.35 K 0.05 G 0.04 L 0.02 C Shift Assignments>> C :: 174.708 CA :: 55.889 CB :: 43.101 CG :: 29.710 CD1 :: 25.705 CD2 :: 27.045 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 :: 9.905 HA :: 4.579 HB2 :: 1.537 HB3 :: 1.537 HG :: 1.372 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.606 HD22 :: 0.606 HD23 :: 0.606 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 :: 129.088 Ave N Shift Values>> N :: 121.86(3.9) 1.D176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.16 G 0.16 C 0.04 F 0.02 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 177.381 CA :: 53.014 CB :: 43.557 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 :: 9.347 HA :: 4.823 HB2 :: 2.765 HB3 :: 2.765 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 :: 128.486 Ave N Shift Values>> N :: 120.65(3.86) 1.G177 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 P 0.01 C Shift Assignments>> C :: 176.425 CA :: 47.252 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.479 HA2 :: 3.961 HA3 :: 3.445 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.929 Ave N Shift Values>> N :: 109.67(3.87) 1.R178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.14 C 0.13 Q 0.12 K 0.07 M 0.06 I 0.01 C Shift Assignments>> C :: 178.119 CA :: 57.116 CB :: 30.213 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 :: 9.413 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 :: 119.733 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.M179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 A 0.2 D 0.13 L 0.08 M 0.06 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.Q209 1.Q103 1.Q209 1.Q103 C Shift Assignments>> CA :: 53.553 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.303 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.481 Ave N Shift Values>> N :: 120.09(3.57) 1.P180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.38 V 0.35 C 0.16 W 0.03 I 0.02 R 0.01 C Shift Assignments>> C :: 175.444 CA :: 62.850 CB :: 31.752 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 :: 4.360 HB2 :: 2.129 HB3 :: 1.561 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.F181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.15 D 0.04 Y 0.04 F 0.03 M 0.03 E 0.03 C Shift Assignments>> C :: 173.397 CA :: 52.243 CB :: 37.339 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.728 HA :: 4.363 HB2 :: 3.303 HB3 :: 3.033 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 :: 112.979 Ave N Shift Values>> N :: 120.45(4.18) 1.P182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 C 0.27 P 0.12 K 0.03 W 0.02 Q 0.02 I 0.01 M 0.01 R 0.01 C Shift Assignments>> C :: 173.952 CA :: 61.960 CB :: 33.500 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.466 HB2 :: 1.873 HB3 :: 1.873 HG2 :: 1.595 HG3 :: 1.595 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.V183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.775 CA :: 62.013 CB :: 34.447 CG1 :: 20.885 CG2 :: 20.350 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 :: 8.621 HA :: 4.150 HB :: 2.062 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.366 HG22 :: 0.366 HG23 :: 0.366 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 :: 119.313 Ave N Shift Values>> N :: 121.14(4.54) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.1 C 0.1 Y 0.04 F 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 176.020 CA :: 52.034 CB :: 38.262 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 :: 8.731 HA :: 4.208 HB2 :: 3.089 HB3 :: 2.435 HD21 :: 7.472 HD22 :: 5.645 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 :: 126.058 ND2 :: 108.682 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 H 0.14 W 0.14 Q 0.13 R 0.12 C 0.12 K 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 175.045 CA :: 56.950 CB :: 29.777 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.567 HA :: 4.729 HB2 :: 3.593 HB3 :: 3.593 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 :: 125.378 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.464 CA :: 43.821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.801 HA2 :: 4.552 HA3 :: 3.778 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.568 Ave N Shift Values>> N :: 109.67(3.87) 1.A187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 C 0.01 C Shift Assignments>> C :: 177.728 CA :: 52.645 CB :: 18.552 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.291 HA :: 3.955 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.740 Ave N Shift Values>> N :: 123.23(3.54) 1.S188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.190 CA :: 57.126 CB :: 64.309 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.893 HA :: 4.310 HB2 :: 3.737 HB3 :: 3.737 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.978 Ave N Shift Values>> N :: 116.28(3.52) 1.S189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> C :: 175.584 CA :: 57.177 CB :: 65.699 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.281 HA :: 4.721 HB2 :: 4.060 HB3 :: 3.931 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 :: 117.619 Ave N Shift Values>> N :: 116.28(3.52) 1.E190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.31 E 0.24 K 0.03 C Shift Assignments>> C :: 178.707 CA :: 60.488 CB :: 29.381 CG :: 36.703 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.303 HA :: 4.000 HB2 :: 2.151 HB3 :: 2.151 HG2 :: 2.415 HG3 :: 2.415 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.054 Ave N Shift Values>> N :: 120.67(3.48) 1.D191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.18 F 0.18 Y 0.14 K 0.09 C 0.08 N 0.05 I 0.01 C Shift Assignments>> C :: 177.654 CA :: 55.929 CB :: 40.730 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 :: 8.414 HA :: 4.562 HB2 :: 2.717 HB3 :: 2.717 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 :: 115.331 Ave N Shift Values>> N :: 120.65(3.86) 1.T192 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 :: 173.566 CA :: 61.374 CB :: 68.469 CG2 :: 20.928 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 :: 7.538 HA :: 4.660 HB :: 4.619 HG21 :: 1.054 HG22 :: 1.054 HG23 :: 1.054 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 :: 108.625 Ave N Shift Values>> N :: 115.42(4.75) 1.L193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.38 L 0.19 R 0.01 C Shift Assignments>> C :: 177.750 CA :: 59.180 CB :: 41.438 CG :: 27.990 CD2 :: 24.636 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 :: 7.146 HA :: 4.104 HB2 :: 1.734 HB3 :: 1.734 HG :: 1.496 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.091 Ave N Shift Values>> N :: 121.86(3.9) 1.L194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.48 R 0.01 C Shift Assignments>> C :: 178.289 CA :: 59.019 CB :: 41.174 CG :: 27.077 CD1 :: 25.726 CD2 :: 24.445 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 :: 8.437 HA :: 3.777 HB2 :: 1.766 HB3 :: 1.487 HG :: 1.732 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 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 :: 115.873 Ave N Shift Values>> N :: 121.86(3.9) 1.K195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.41 R 0.04 C Shift Assignments>> C :: 179.528 CA :: 59.511 CB :: 32.490 CD :: 29.770 CE :: 42.040 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.832 HA :: 3.800 HB2 :: 1.752 HB3 :: 1.752 HG2 :: 1.352 HG3 :: 1.352 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.935 HE3 :: 2.935 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.811 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.11 L 0.09 I 0.06 N 0.03 K 0.01 HN Overlap>> 1.R129 1.R129 C Shift Assignments>> C :: 178.843 CA :: 57.145 CB :: 39.817 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 :: 8.890 HA :: 4.335 HB2 :: 2.644 HB3 :: 2.644 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.925 Ave N Shift Values>> N :: 120.65(3.86) 1.A197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.29 C 0.03 I 0.01 HN Overlap>> 1.E174 1.E174 C Shift Assignments>> C :: 179.746 CA :: 54.532 CB :: 19.042 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.174 HA :: 3.591 HB1 :: 1.217 HB2 :: 1.217 HB3 :: 1.217 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.346 Ave N Shift Values>> N :: 123.23(3.54) 1.A198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.33 I 0.06 C 0.04 V 0.01 HN Overlap>> 1.C90 1.C90 C Shift Assignments>> C :: 178.678 CA :: 55.813 CB :: 18.578 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.789 HA :: 3.604 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.711 Ave N Shift Values>> N :: 123.23(3.54) 1.K199 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.R207 1.R207 C Shift Assignments>> C :: 179.036 CA :: 60.030 CB :: 32.089 CG :: 34.107(S) CD :: 30.160 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.255 HA :: 3.789 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.011 HG3 :: 1.766 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.990 HE3 :: 2.990 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.958 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (CB > CG : 0.9963) 1.V200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 179.416 CA :: 65.640 CB :: 30.592 CG1 :: 23.041 CG2 :: 21.100 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 :: 6.681 HA :: 3.587 HB :: 1.578 HG11 :: 0.901 HG12 :: 0.901 HG13 :: 0.901 HG21 :: 0.510 HG22 :: 0.510 HG23 :: 0.510 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 :: 118.423 Ave N Shift Values>> N :: 121.14(4.54) 1.C201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.38 C 0.08 C Shift Assignments>> C :: 177.318 CA :: 64.485 CB :: 27.430 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.967 HA :: 3.879 HB2 :: 3.060 HB3 :: 3.060 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.686 Ave N Shift Values>> N :: 120.17(4.64) 1.R202 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 K 0.09 I 0.09 H 0.09 R 0.09 Q 0.08 V 0.02 M 0.02 C Shift Assignments>> C :: 179.084 CA :: 59.576 CB :: 29.554 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 :: 8.427 HA :: 4.004 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 :: 118.288 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.E203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.23 K 0.07 Q 0.03 C Shift Assignments>> C :: 179.632 CA :: 59.371 CB :: 28.572 CG :: 36.300 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 :: 7.551 HA :: 3.960 HB2 :: 2.451 HB3 :: 2.451 HG2 :: 2.590 HG3 :: 2.590 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.713 Ave N Shift Values>> N :: 120.67(3.48) 1.F204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.18 Y 0.18 F 0.15 E 0.01 C Shift Assignments>> C :: 179.536 CA :: 61.304 CB :: 38.360 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.635 HA :: 3.769 HB2 :: 3.521 HB3 :: 2.781 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.850 Ave N Shift Values>> N :: 120.45(4.18) 1.T205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 177.073 CA :: 64.453 CB :: 67.968 CG2 :: 20.506 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 :: 7.466 HA :: 3.540 HB :: 3.904 HG21 :: 0.420 HG22 :: 0.420 HG23 :: 0.420 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 :: 110.101 Ave N Shift Values>> N :: 115.42(4.75) 1.E206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.1 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.497 CA :: 57.904 CB :: 29.480 CG :: 36.530 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 :: 7.595 HA :: 4.052 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.326 HG3 :: 2.236 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 :: 121.613 Ave N Shift Values>> N :: 120.67(3.48) 1.R207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.21 K 0.18 G 0.07 HN Overlap>> 1.K199 1.K199 C Shift Assignments>> C :: 176.843 CA :: 58.860 CB :: 31.394 CG :: 29.298 CD :: 43.340 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 :: 7.265 HA :: 4.054 HB2 :: 2.049 HB3 :: 2.049 HG2 :: 1.819 HG3 :: 1.819 HD2 :: 3.157 HD3 :: 3.157 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 :: 116.998 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.E208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.16 Q 0.04 K 0.03 C Shift Assignments>> C :: 175.201 CA :: 54.630 CB :: 30.596 CG :: 36.400 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 :: 7.119 HA :: 4.563 HB2 :: 2.412 HB3 :: 2.412 HG2 :: 2.443 HG3 :: 2.443 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 :: 118.204 Ave N Shift Values>> N :: 120.67(3.48) 1.Q209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.1 R 0.04 M 0.02 HN Overlap>> 1.M179 1.M179 C Shift Assignments>> C :: 177.055 CA :: 56.630 CB :: 28.926 CG :: 34.121 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 :: 8.258 HA :: 4.304 HB2 :: 2.205 HB3 :: 2.052 HG2 :: 2.409 HG3 :: 2.409 HE21 :: 7.602 HE22 :: 6.851 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.486 NE2 :: 113.051 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G210 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.800 CA :: 45.245 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.768 HA2 :: 4.050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.340 Ave N Shift Values>> N :: 109.67(3.87) 1.E211 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.39 M 0.11 K 0.02 I 0.02 Q 0.01 C Shift Assignments>> C :: 176.053 CA :: 55.844 CB :: 30.515 CG :: 36.973 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 :: 8.256 HA :: 4.481 HB2 :: 2.261 HB3 :: 2.002 HG2 :: 2.174 HG3 :: 2.174 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 :: 121.282 Ave N Shift Values>> N :: 120.67(3.48) 1.V212 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 176.585 CA :: 61.260 CB :: 33.254 CG1 :: 19.979 CG2 :: 19.979 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 :: 8.056 HA :: 4.589 HB :: 2.310 HG11 :: 0.944 HG12 :: 0.944 HG13 :: 0.944 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 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 :: 119.108 Ave N Shift Values>> N :: 121.14(4.54) 1.R213 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.09 K 0.05 C Shift Assignments>> C :: 174.317 CA :: 56.196 CB :: 30.156 CD :: 43.634 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 :: 8.669 HA :: 4.539 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.718 HG3 :: 1.718 HD2 :: 3.225 HD3 :: 3.225 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 :: 126.183 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.F214 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 F 0.13 D 0.13 Y 0.1 R 0.07 C 0.06 N 0.01 I 0.01 C Shift Assignments>> C :: 176.022 CA :: 56.532 CB :: 41.838 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 :: 8.105 HA :: 5.311 HB2 :: 3.093 HB3 :: 3.093 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.391 Ave N Shift Values>> N :: 120.45(4.18) 1.S215 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 :: 171.489 CA :: 57.676 CB :: 65.432 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.956 HA :: 4.872 HB2 :: 3.919 HB3 :: 3.919 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.667 Ave N Shift Values>> N :: 116.28(3.52) 1.A216 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.08 C Shift Assignments>> C :: 176.413 CA :: 50.611 CB :: 21.856 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.072 HA :: 5.900(S) HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.222 Ave N Shift Values>> N :: 123.23(3.54) 1.V217 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.16 C Shift Assignments>> C :: 173.683 CA :: 59.392 CB :: 36.399 CG1 :: 23.040 CG2 :: 20.918 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 :: 9.049 HA :: 5.290 HB :: 2.130 HG11 :: 0.950 HG12 :: 0.950 HG13 :: 0.950 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 115.377 Ave N Shift Values>> N :: 121.14(4.54) 1.A218 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.2 C 0.12 C Shift Assignments>> C :: 175.504 CA :: 49.914 CB :: 22.322 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.218 HA :: 5.652 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.206 Ave N Shift Values>> N :: 123.23(3.54) 1.L219 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.2 C 0.18 G 0.1 R 0.05 C Shift Assignments>> C :: 174.721 CA :: 54.015 CB :: 43.477 CG :: 26.739 CD1 :: 25.466 CD2 :: 20.325 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 :: 8.071 HA :: 4.587 HB2 :: 0.768 HB3 :: 0.768 HG :: 1.222 HD11 :: 0.343 HD12 :: 0.343 HD13 :: 0.343 HD21 :: -0.175 HD22 :: -0.175 HD23 :: -0.175 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.137 Ave N Shift Values>> N :: 121.86(3.9) 1.C220 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 C 0.18 M 0.15 R 0.1 Q 0.09 H 0.09 W 0.08 E 0.06 V 0.03 HN Overlap>> 1.D110 1.D110 C Shift Assignments>> C :: 172.893 CA :: 57.421 CB :: 32.569 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.060 HA :: 5.706 HB2 :: 2.797 HB3 :: 2.677 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.982 Ave N Shift Values>> N :: 120.17(4.64) 1.K221 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.35 R 0.14 C Shift Assignments>> C :: 175.130 CA :: 55.582 CB :: 31.276 CG :: 25.044 CD :: 29.145 CE :: 41.906 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.455 HA :: 3.483 HB2 :: 1.050 HB3 :: -0.266(S) HG2 :: 0.568 HG3 :: -0.037(S) HD2 :: 1.188 HD3 :: 1.188 HE2 :: 2.662 HE3 :: 2.662 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 :: 125.028 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A222 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.03 C 0.02 L 0.01 C Shift Assignments>> C :: 176.444 CA :: 51.636 CB :: 19.835 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.836 HA :: 4.178 HB1 :: 1.154 HB2 :: 1.154 HB3 :: 1.154 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.353 Ave N Shift Values>> N :: 123.23(3.54) 1.A223 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 177.493 CA :: 51.795 CB :: 19.117 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.228 HA :: 4.257 HB1 :: 1.316 HB2 :: 1.316 HB3 :: 1.316 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.734 Ave N Shift Values>> N :: 123.23(3.54) 1.L224 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.27 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 177.383 CA :: 55.127 CB :: 42.282 CG :: 26.810 CD1 :: 24.845 CD2 :: 23.651 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 :: 8.187 HA :: 4.201 HB2 :: 1.501 HB3 :: 1.321 HG :: 1.501 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 HD21 :: 0.785 HD22 :: 0.785 HD23 :: 0.785 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 121.86(3.9) 1.E225 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 M 0.1 K 0.05 Q 0.04 I 0.02 C Shift Assignments>> C :: 176.061 CA :: 56.280 CB :: 30.313 CG :: 36.450 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 :: 8.404 HA :: 4.162 HB2 :: 1.837 HB3 :: 1.837 HG2 :: 2.140 HG3 :: 2.140 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 :: 121.584 Ave N Shift Values>> N :: 120.67(3.48) 1.H226 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.14 Q 0.13 W 0.13 E 0.13 C 0.11 K 0.07 M 0.07 C Shift Assignments>> C :: 174.855 CA :: 55.838 CB :: 30.173 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.337 HA :: 4.544 HB2 :: 3.041 HB3 :: 3.041 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.237 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H227 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.22 P 0.15 D 0.09 L 0.04 C 0.03 M 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 176.365 CA :: 51.581 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.820 HA :: 4.140 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 :: 126.684 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H228 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.33 N 0.24 D 0.1 P 0.07 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 177.393 CA :: 51.885 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 :: 8.129 HA :: 4.234 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 123.088 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H229 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H230 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.16 R 0.14 Q 0.13 W 0.13 E 0.13 C 0.11 K 0.08 M 0.07 C Shift Assignments>> C :: 173.934 CA :: 55.834 CB :: 30.120 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>> HA :: 4.604 HB2 :: 3.099 HB3 :: 3.099 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.H231 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 C Shift Assignments>> C :: 179.193 CA :: 57.229 CB :: 30.109 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 :: 8.168 HA :: 4.421 HB2 :: 3.118 HB3 :: 3.118 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 :: 125.336 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 220 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 226 #Suspicious: 2 #Mistyped: 1 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 228 #Suspicious: 3 C Shift Results: #Consistent: 838 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent:1373 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 234 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.I8 Typing: Suspicious 1.I8 CG1 = 13.479(S), Expected = 27.71, Std = 1.6800, ChiSquare = 2.4364e-17 1.I8 HG21 = -0.398(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5189e-05 1.I8 HG22 = -0.398(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5189e-05 1.I8 HG23 = -0.398(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.5189e-05 1.I8 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.L50 HB2 = 3.097(S), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2225e-05 1.L50 HB3 = 3.097(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.1838e-05 1.K65 CE = 44.897(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.4534e-04 1.I67 Typing: Suspicious 1.I67 CG1 = 14.146(S), Expected = 27.71, Std = 1.6800, ChiSquare = 6.8138e-16 1.I67 SRO Rule Break>> CG1 > CG2 : 0.99435736677116 1.M82 H = 11.978(S), Expected = 8.26, Std = 0.6000, ChiSquare = 5.7671e-10 1.M82 N = 133.516(S), Expected = 120.09, Std = 3.5700, ChiSquare = 1.6938e-04 1.K83 H = 5.749(S), Expected = 8.19, Std = 0.6000, ChiSquare = 4.7351e-05 1.N166 ND2 = 103.040(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.3352e-05 1.N167 HA = 5.926(S), Expected = 4.67, Std = 0.3600, ChiSquare = 4.8503e-04 1.K199 Typing: Mistyped 1.K199 CG = 34.107(S), Expected = 24.89, Std = 1.1300, ChiSquare = 3.4448e-16 1.K199 SRO Rule Break>> CB > CG : 0.996318453750575 1.A216 HA = 5.900(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.9356e-04 1.K221 HB3 = -0.266(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0890e-13 1.K221 HG3 = -0.037(S), Expected = 1.35, Std = 0.2800, ChiSquare = 7.2864e-07