Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.744 CB :: 62.656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.212 HB2 :: 4.023 HB3 :: 4.023 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.41 K 0.08 Q 0.03 C Shift Assignments>> CA :: 59.977 CB :: 29.108 CG :: 36.439 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 :: 8.79 HA :: 4.081 HB2 :: 1.932 HB3 :: 2.034 HG2 :: 2.287 HG3 :: 2.287 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 :: 122.581 Ave N Shift Values>> N :: 120.67(3.48) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.22 I 0.05 M 0.03 R 0.02 C Shift Assignments>> CA :: 58.836 CB :: 29.136 CG :: 34.468 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 :: 7.942 HA :: 3.978 HB2 :: 2.269 HB3 :: 2.038 HG2 :: 2.264 HG3 :: 2.432 HE21 :: 7.491 HE22 :: 6.962 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 :: 119.18 NE2 :: 111.744 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 Y 0.47 C Shift Assignments>> CA :: 59.975 CB :: 39.224 CD1 :: 131.665 CD2 :: 131.665 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 :: 8.13 HA :: 4.438 HB2 :: 3.569 HB3 :: 3.496 HD1 :: 7.543 HD2 :: 7.543 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.774 Ave N Shift Values>> N :: 120.45(4.18) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.492 CB :: 68.579 CG2 :: 22.293 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 :: 8.692 HA :: 3.524 HB :: 4.291 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.138 Ave N Shift Values>> N :: 115.42(4.75) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.043 CB :: 68.478 CG2 :: 21.713 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 :: 8.108 HA :: 3.877 HB :: 4.094 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.504 Ave N Shift Values>> N :: 115.42(4.75) 1.K7 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.87 R 0.12 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> CA :: 58.675 CB :: 31.214 CG :: 24.297 CD :: 28.026 CE :: 40.787 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 :: 7.754 HA :: 3.69 HB2 :: 1.406 HB3 :: 1.756 HG2 :: 0.814 HG3 :: 0.999 HD2 :: 1.103 HD3 :: 0.857(S) HE2 :: 1.763(S) HE3 :: 1.597(S) 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 :: 121.9 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE3 > HB3 : 0.9974) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 V 0.02 A 0.01 HN Overlap>> 1.L131 1.L131 C Shift Assignments>> CA :: 57.998 CB :: 40.065 CG :: 27.698 CD1 :: 22.78 CD2 :: 23.548 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 :: 7.914 HA :: 3.643 HB2 :: 0.713 HB3 :: 1.103 HG :: 0.915 HD11 :: 0.31 HD12 :: 0.31 HD13 :: 0.31 HD21 :: -0.148 HD22 :: -0.148 HD23 :: -0.148 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 :: 119.976 Ave N Shift Values>> N :: 121.86(3.9) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 Y 0.16 D 0.16 F 0.14 L 0.05 E 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.59 CB :: 38.506 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 :: 8.264 HA :: 4.575 HB2 :: 2.964 HB3 :: 2.909 HD21 :: 7.703 HD22 :: 7.061 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.192 ND2 :: 112.863 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.957 CB :: 70.28 CG2 :: 21.337 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 :: 7.406 HA :: 4.466 HB :: 4.411 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 106.169 Ave N Shift Values>> N :: 115.42(4.75) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 G 0.11 R 0.1 C Shift Assignments>> CA :: 56.225 CB :: 43.34 CG :: 26.158 CD1 :: 25.974 CD2 :: 25.016 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.897 HA :: 4.023 HB2 :: 1.752 HB3 :: 1.41 HG :: 2.104 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.794 HD22 :: 0.794 HD23 :: 0.794 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 :: 124.34 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.29 Q 0.02 C Shift Assignments>> CA :: 54.206 CB :: 33.166 CG :: 36.177 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 :: 8.664 HA :: 4.536 HB2 :: 2.072 HB3 :: 1.759 HG2 :: 2.207 HG3 :: 2.299 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.015 Ave N Shift Values>> N :: 120.67(3.48) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.21 F 0.06 Y 0.05 L 0.05 C Shift Assignments>> CA :: 52.526 CB :: 39.051 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 :: 8.519 HA :: 4.681 HB2 :: 2.913 HB3 :: 2.438 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 :: 118.142 Ave N Shift Values>> N :: 120.65(3.86) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 HN Overlap>> 1.Q118 1.Q118 C Shift Assignments>> CA :: 56.382 CB :: 65.917 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.334 HA :: 4.615 HB2 :: 4.168 HB3 :: 3.822 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 :: 117.702 Ave N Shift Values>> N :: 116.28(3.52) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 R 0.15 E 0.06 I 0.03 M 0.02 C Shift Assignments>> CA :: 58.703 CB :: 28.008 CG :: 33.68 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.046 HA :: 3.955 HB2 :: 2.041 HB3 :: 2.041 HG2 :: 2.39 HG3 :: 2.39 HE21 :: 7.551 HE22 :: 6.656 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 :: 123.262 NE2 :: 111.987 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 I 0.4 K 0.09 Q 0.03 C Shift Assignments>> CA :: 59.929 CB :: 29.036 CG :: 36.362 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 :: 8.973 HA :: 3.958 HB2 :: 1.996 HB3 :: 1.874 HG2 :: 2.314 HG3 :: 2.235 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 :: 119.759 Ave N Shift Values>> N :: 120.67(3.48) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.279 CB :: 63.802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.801 HA :: 4.105 HB2 :: 3.909 HB3 :: 4.191 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 :: 115.222 Ave N Shift Values>> N :: 116.28(3.52) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.124 CB :: 37.16 CG1 :: 28.848 CG2 :: 17.552 CD1 :: 12.097 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 :: 7.838 HA :: 3.657 HB :: 1.811 HG12 :: 1.885 HG13 :: 1.552 HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 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 :: 118.975 Ave N Shift Values>> N :: 121.46(4.28) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.749 CB :: 62.745 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.506 HA :: 3.665 HB2 :: 3.887 HB3 :: 3.887 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.821 Ave N Shift Values>> N :: 116.28(3.52) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.779 CB :: 62.669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.037 HA :: 4.212 HB2 :: 4.04 HB3 :: 3.934 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 :: 116.695 Ave N Shift Values>> N :: 116.28(3.52) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.04 V 0.01 C Shift Assignments>> CA :: 55.431 CB :: 18.806 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.731 HA :: 4.257 HB1 :: 1.464 HB2 :: 1.464 HB3 :: 1.464 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.201 Ave N Shift Values>> N :: 123.23(3.54) 1.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.393 CB :: 63.371 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.366 HA :: 3.99 HB2 :: 3.784 HB3 :: 3.874 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.403 Ave N Shift Values>> N :: 116.28(3.52) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> CA :: 60.103 CB :: 32.606 CG :: 25.569 CD :: 29.674 CE :: 42.205 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 :: 8.192 HA :: 3.928 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 1.695 HG3 :: 1.477 HD2 :: 1.707 HD3 :: 1.707 HE2 :: 2.965 HE3 :: 2.965 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 :: 119.939 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 P 0.22 W 0.09 R 0.04 K 0.03 E 0.02 Q 0.02 H 0.02 V 0.01 C Shift Assignments>> CA :: 61.712 CB :: 27.993 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 :: 7.46 HA :: 4.254 HB2 :: 3.533 HB3 :: 3.378 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.293 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 G 0.02 C Shift Assignments>> CA :: 57.783 CB :: 42.414 CG :: 27.207 CD1 :: 25.895 CD2 :: 24.743 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 :: 8.397 HA :: 3.567 HB2 :: 1.99 HB3 :: 1.245 HG :: 1.971 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 119.742 Ave N Shift Values>> N :: 121.86(3.9) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.15 C Shift Assignments>> CA :: 57.873 CB :: 41.717 CG :: 27.78 CD1 :: 25.774 CD2 :: 23.898 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 :: 8.538 HA :: 3.95 HB2 :: 1.511 HB3 :: 1.805 HG :: 1.712 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 HD21 :: 0.628 HD22 :: 0.628 HD23 :: 0.628 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 :: 119.089 Ave N Shift Values>> N :: 121.86(3.9) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.05 A 0.04 G 0.01 C Shift Assignments>> CA :: 56.641 CB :: 41.785 CG :: 26.433 CD1 :: 22.475 CD2 :: 25.567 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 :: 7.166 HA :: 4.333 HB2 :: 1.871 HB3 :: 1.492 HG :: 1.97 HD11 :: 0.946 HD12 :: 0.946 HD13 :: 0.946 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 :: 116.32 Ave N Shift Values>> N :: 121.86(3.9) 1.Q28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 R 0.44 P 0.04 Q 0.02 M 0.01 C Shift Assignments>> CA :: 53.029 CB :: 25.677 CG :: 31.423 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 :: 8.121 HA :: 4.49 HB2 :: 2.142 HB3 :: 1.699 HG2 :: 1.254(S) HG3 :: 1.995 HE21 :: 6.002 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 :: 117.939 NE2 :: 110.555 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.81 F 0.18 C Shift Assignments>> CA :: 60.453 CB :: 37.873 CD1 :: 133.312 CD2 :: 133.312 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 :: 6.906 HA :: 3.631 HB2 :: 3.213 HB3 :: 2.692 HD1 :: 7.027 HD2 :: 7.027 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 :: 116.055 Ave N Shift Values>> N :: 120.52(4.2) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.12 G 0.1 L 0.01 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> CA :: 58.282 CB :: 29.418 CG :: 28.211 CD :: 43.199 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 :: 7.827 HA :: 3.782 HB2 :: 1.647 HB3 :: 1.227 HG2 :: 1.198 HG3 :: 0.947 HD2 :: 2.904 HD3 :: 3.027 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 :: 121.933 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.27 R 0.15 K 0.08 N 0.04 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> CA :: 52.794 CB :: 42.684 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.827 HA :: 4.981 HB2 :: 2.093 HB3 :: 2.786 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.618 Ave N Shift Values>> N :: 120.65(3.86) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 I 0.11 A 0.05 C Shift Assignments>> CA :: 56.796 CB :: 16.02 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.149 HA :: 3.537 HB1 :: 0.622 HB2 :: 0.622 HB3 :: 0.622 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.651 Ave N Shift Values>> N :: 123.23(3.54) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.757 CB :: 31.139 CG :: 28.401 CD :: 50.379 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 :: 4.059 HB2 :: 2.315 HB3 :: 1.734 HG2 :: 2.013 HG3 :: 1.788 HD2 :: 3.468 HD3 :: 3.468 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.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.17 G 0.01 C Shift Assignments>> CA :: 58.436 CB :: 32.362 CG :: 25.035 CD :: 29.212 CE :: 42.011 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 :: 7.137 HA :: 4.062 HB2 :: 1.76 HB3 :: 1.76 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.876 HE3 :: 2.876 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 :: 118.144 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y42 1.Y42 C Shift Assignments>> CA :: 66.406 CB :: 31.508 CG1 :: 22.489 CG2 :: 22.561 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 :: 7.843 HA :: 3.29 HB :: 2.131 HG11 :: 0.9 HG12 :: 0.9 HG13 :: 0.9 HG21 :: 0.567 HG22 :: 0.567 HG23 :: 0.567 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 :: 119.306 Ave N Shift Values>> N :: 121.14(4.54) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.27 I 0.06 C Shift Assignments>> CA :: 55.615 CB :: 17.805 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.993 HA :: 3.599 HB1 :: 0.813 HB2 :: 0.813 HB3 :: 0.813 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.17 Ave N Shift Values>> N :: 123.23(3.54) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.18 K 0.14 Q 0.1 M 0.04 C Shift Assignments>> CA :: 59.556 CB :: 29.672 CG :: 35.77 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 :: 7.926 HA :: 4.036 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.299 HG3 :: 2.299 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 120.67(3.48) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.01 C Shift Assignments>> CA :: 59.212 CB :: 32.408 CG :: 33.346 CE :: 17.742 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 :: 8.583 HA :: 4.239 HB2 :: 1.853 HB3 :: 2.045 HG2 :: 2.817 HG3 :: 2.615 HE1 :: 2.083 HE2 :: 2.083 HE3 :: 2.083 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 :: 119.302 Ave N Shift Values>> N :: 120.09(3.57) 1.W39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 P 0.21 V 0.08 W 0.08 K 0.01 E 0.01 R 0.01 H 0.01 C Shift Assignments>> CA :: 63.059 CB :: 28.966 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.058 HA :: 4.203 HB2 :: 3.991 HB3 :: 3.544 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 :: 122.749 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.1 G 0.01 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> CA :: 59.998 CB :: 31.712 CG :: 24.61 CD :: 29.572 CE :: 41.958 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 :: 8.739 HA :: 3.458 HB2 :: 2.236 HB3 :: 1.815 HG2 :: 1.147 HG3 :: 1.243 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.878 HE3 :: 2.775 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 :: 119.639 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.36 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> CA :: 59.779 CB :: 29.27 CG :: 36.443 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 :: 8.02 HA :: 3.752 HB2 :: 2.16 HB3 :: 2.058 HG2 :: 2.476 HG3 :: 2.214 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 :: 116.352 Ave N Shift Values>> N :: 120.67(3.48) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 F 0.33 HN Overlap>> 1.V35 1.V35 C Shift Assignments>> CA :: 62.245 CB :: 39.4 CD1 :: 132.778 CD2 :: 132.778 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 :: 7.877 HA :: 3.736 HB2 :: 3.006 HB3 :: 3.006 HD1 :: 6.725 HD2 :: 6.725 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.398 Ave N Shift Values>> N :: 120.52(4.2) 1.M43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.68 A 0.31 C Shift Assignments>> CA :: 55.105 CB :: 31.502 CG :: 31.221 CE :: 17.368 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.982 HA :: 3.833 HB2 :: 1.489 HB3 :: 1.265 HG2 :: 1.902 HG3 :: 0.394(S) HE1 :: 1.956 HE2 :: 1.956 HE3 :: 1.956 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 :: 112.504 Ave N Shift Values>> N :: 120.09(3.57) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 A 0.07 R 0.01 HN Overlap>> 1.F75 1.F75 C Shift Assignments>> CA :: 53.727 CB :: 41.179 CG :: 26.356 CD1 :: 25.98 CD2 :: 23.208 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 :: 7.422 HA :: 4.226 HB2 :: 1.521 HB3 :: 1.635 HG :: 1.804 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 HD21 :: 0.665 HD22 :: 0.665 HD23 :: 0.665 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 :: 114.538 Ave N Shift Values>> N :: 121.86(3.9) 1.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 G 0.22 K 0.02 C Shift Assignments>> CA :: 55.596 CB :: 30.652 CG :: 27.18 CD :: 43.91 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 :: 7.364 HA :: 4.339 HB2 :: 1.97 HB3 :: 1.674 HG2 :: 2.073 HG3 :: 1.575 HD2 :: 3.03 HD3 :: 2.906 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 :: 125.339 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.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.277 CB :: 31.861 CG :: 27.429 CD :: 51.323 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 :: 4.469 HB2 :: 2.303 HB3 :: 1.93 HG2 :: 2.011 HG3 :: 2.011 HD2 :: 4.086 HD3 :: 3.839 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.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.942 CB :: 62.959 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.169 HA :: 4.226 HB2 :: 4.055 HB3 :: 3.725 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 :: 107.59 Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.315 CB :: 31.833 CG1 :: 21.402 CG2 :: 22.058 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 :: 6.896 HA :: 3.898 HB :: 1.63 HG11 :: 0.634 HG12 :: 0.634 HG13 :: 0.634 HG21 :: 0.415 HG22 :: 0.415 HG23 :: 0.415 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 :: 125.477 Ave N Shift Values>> N :: 121.14(4.54) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.22 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> CA :: 53.32 CB :: 39.05 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 :: 8.419 HA :: 4.598 HB2 :: 3.267 HB3 :: 2.828 HD21 :: 7.689 HD22 :: 6.976 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 :: 125.41 ND2 :: 112.941 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 66.615 CB :: 68.816 CG2 :: 23.601 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 :: 8.411 HA :: 3.787 HB :: 3.997 HG21 :: 1.392 HG22 :: 1.392 HG23 :: 1.392 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.216 Ave N Shift Values>> N :: 115.42(4.75) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.1 G 0.1 L 0.01 C Shift Assignments>> CA :: 59.583 CB :: 29.271 CG :: 27.908 CD :: 43.031 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 :: 8.056 HA :: 3.822 HB2 :: 1.85 HB3 :: 1.85 HG2 :: 1.512 HG3 :: 1.657 HD2 :: 3.187 HD3 :: 3.187 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 :: 121.254 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.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 G 0.16 K 0.05 L 0.02 C Shift Assignments>> CA :: 59.483 CB :: 29.049 CG :: 28.017 CD :: 43.349 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 :: 7.981 HA :: 4.003 HB2 :: 2.076 HB3 :: 2.011 HG2 :: 1.945 HG3 :: 1.645 HD2 :: 3.346 HD3 :: 3.346 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 :: 118.706 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.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 G 0.12 K 0.05 C Shift Assignments>> CA :: 60.329 CB :: 33.237 CG :: 27.802 CD :: 29.737 CE :: 43.058 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 :: 8.043 HA :: 4.218 HB2 :: 1.657 HB3 :: 2.152 HG2 :: 1.608 HG3 :: 1.192 HD2 :: 1.708 HD3 :: 1.456 HE2 :: 3.025 HE3 :: 2.656 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 :: 120.031 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 R 0.01 HN Overlap>> 1.L102 1.L102 C Shift Assignments>> CA :: 58.484 CB :: 40.833 CG :: 26.431 CD1 :: 25.877 CD2 :: 23.037 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 :: 8.262 HA :: 3.925 HB2 :: 1.936 HB3 :: 1.23 HG :: 0.965 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.642 HD22 :: 0.642 HD23 :: 0.642 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 :: 121.445 Ave N Shift Values>> N :: 121.86(3.9) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 A 0.01 C Shift Assignments>> CA :: 58.337 CB :: 40.32 CG :: 26.736 CD1 :: 22.425 CD2 :: 25.284 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 :: 7.676 HA :: 3.975 HB2 :: 2.034 HB3 :: 1.368 HG :: 1.873 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 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 :: 116.912 Ave N Shift Values>> N :: 121.86(3.9) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.04 P 0.04 A 0.04 N 0.01 C Shift Assignments>> CA :: 47.556 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457 HA2 :: 4.295 HA3 :: 3.779 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.897 Ave N Shift Values>> N :: 109.67(3.87) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> CA :: 58.625 CB :: 41.368 CG :: 27.447 CD1 :: 26.166 CD2 :: 24.129 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 :: 8.607 HA :: 4.628 HB2 :: 2.673 HB3 :: 1.553 HG :: 1.768 HD11 :: 1.048 HD12 :: 1.048 HD13 :: 1.048 HD21 :: 1.101 HD22 :: 1.101 HD23 :: 1.101 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 :: 127.196 Ave N Shift Values>> N :: 121.86(3.9) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.93 W 0.05 C Shift Assignments>> CA :: 58.13 CB :: 36.026 CD1 :: 130.6 CD2 :: 130.6 CE1 :: 118.096 CE2 :: 118.096 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.7 HA :: 4.614 HB2 :: 3.461 HB3 :: 3.249 HD1 :: 6.932 HD2 :: 6.932 HE1 :: 6.734 HE2 :: 6.734 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.437 Ave N Shift Values>> N :: 120.52(4.2) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.15 K 0.01 C Shift Assignments>> CA :: 58.459 CB :: 41.456 CG :: 27.436 CD1 :: 26.667 CD2 :: 24.561 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 :: 8.988 HA :: 4.198 HB2 :: 2.222 HB3 :: 1.647 HG :: 1.44 HD11 :: 1.047 HD12 :: 1.047 HD13 :: 1.047 HD21 :: 1.017 HD22 :: 1.017 HD23 :: 1.017 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 :: 121.22 Ave N Shift Values>> N :: 121.86(3.9) 1.M60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> CA :: 60.185 CB :: 31.167 CG :: 30.916 CE :: 16.771 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.512 HA :: 2.841 HB2 :: 1.14 HB3 :: 2.023 HG2 :: 0.751(S) HG3 :: 0.594(S) HE1 :: 1.906 HE2 :: 1.906 HE3 :: 1.906 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 :: 118.537 Ave N Shift Values>> N :: 120.09(3.57) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.2 L 0.14 N 0.09 I 0.03 K 0.01 C Shift Assignments>> CA :: 56.245 CB :: 39.918 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 :: 8.235 HA :: 4.14 HB2 :: 2.46 HB3 :: 2.937 HD21 :: 7.723 HD22 :: 5.963 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.024 ND2 :: 110.119 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 H 0.33 C Shift Assignments>> CA :: 61.042 CB :: 31.61 CD2 :: 119.391 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 :: 8.113 HA :: 3.908 HB2 :: 3.059 HB3 :: 3.059 HD2 :: 6.986 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 :: 118.674 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q118 1.Q118 C Shift Assignments>> CA :: 66.422 CB :: 31.34 CG1 :: 20.633 CG2 :: 24.366 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 :: 8.395 HA :: 3.48 HB :: 1.851 HG11 :: 0.246 HG12 :: 0.246 HG13 :: 0.246 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 117.828 Ave N Shift Values>> N :: 121.14(4.54) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.856 CB :: 30.804 CG1 :: 23.174 CG2 :: 20.649 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 :: 8.271 HA :: 3.784 HB :: 1.847 HG11 :: 0.754 HG12 :: 0.754 HG13 :: 0.754 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.452 Ave N Shift Values>> N :: 121.14(4.54) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.29 E 0.19 I 0.14 R 0.05 C Shift Assignments>> CA :: 59.822 CB :: 28.39 CG :: 34.541 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 :: 7.587 HA :: 3.881 HB2 :: 1.982 HB3 :: 1.89 HG2 :: 2.461 HG3 :: 1.92 HE21 :: 7.341 HE22 :: 6.269 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 :: 120.23 NE2 :: 111.296 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.37 E 0.11 R 0.06 M 0.03 I 0.02 C Shift Assignments>> CA :: 58.078 CB :: 28.794 CG :: 33.936 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 :: 8.121 HA :: 3.904 HB2 :: 1.977 HB3 :: 1.925 HG2 :: 2.257 HG3 :: 2.138 HE21 :: 7.103 HE22 :: 6.736 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 :: 120.424 NE2 :: 113.132 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.04 C Shift Assignments>> CA :: 55.477 CB :: 18.541 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.953 HA :: 3.83 HB1 :: 1.657 HB2 :: 1.657 HB3 :: 1.657 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.606 Ave N Shift Values>> N :: 123.23(3.54) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.26 G 0.02 C Shift Assignments>> CA :: 59.354 CB :: 32.311 CG :: 25.128 CD :: 30.012 CE :: 42.431 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 :: 7.748 HA :: 4.034 HB2 :: 1.845 HB3 :: 1.739 HG2 :: 1.401 HG3 :: 1.293 HD2 :: 1.632 HD3 :: 1.553 HE2 :: 2.997 HE3 :: 2.997 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 :: 118.477 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.889 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.695 HA2 :: 4.014 HA3 :: 3.854 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.858 Ave N Shift Values>> N :: 109.67(3.87) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.26 E 0.23 M 0.11 R 0.01 C Shift Assignments>> CA :: 55.915 CB :: 29.7 CG :: 34.594 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 :: 7.798 HA :: 4.29 HB2 :: 2.371 HB3 :: 1.707 HG2 :: 2.429 HG3 :: 2.339 HE21 :: 7.329 HE22 :: 6.802 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 :: 117.508 NE2 :: 111.286 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.96 L 0.03 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> CA :: 57.602 CB :: 28.901 CG :: 25.2 CD :: 29.367 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 :: 7.798 HA :: 3.941 HB2 :: 2.109 HB3 :: 1.946 HG2 :: 1.327 HG3 :: 1.327 HD2 :: 1.693 HD3 :: 1.693 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 :: 116.026 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.911 CB :: 37.59 CG1 :: 26.771 CG2 :: 19.23 CD1 :: 13.624 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 :: 8.525 HA :: 4.376 HB :: 1.891 HG12 :: 1.467 HG13 :: 0.862 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 HD11 :: 0.775 HD12 :: 0.775 HD13 :: 0.775 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 :: 121.33 Ave N Shift Values>> N :: 121.46(4.28) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.94 CB :: 38.749 CG1 :: 27.523 CG2 :: 17.86 CD1 :: 13.631 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 :: 7.813 HA :: 4.155 HB :: 1.931 HG12 :: 1.381 HG13 :: 1.287 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 122.916 Ave N Shift Values>> N :: 121.46(4.28) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.25 I 0.2 E 0.2 R 0.04 C Shift Assignments>> CA :: 60.191 CB :: 28.344 CG :: 34.675 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.143 HB2 :: 1.873 HB3 :: 1.674 HG2 :: 2.652 HG3 :: 2.511 HE21 :: 7.717 HE22 :: 7.013 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> NE2 :: 111.186 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 F 0.15 Y 0.15 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> CA :: 62.777 CB :: 39.646 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 :: 7.35 HA :: 4.41 HB2 :: 3.06 HB3 :: 2.901 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 :: 114.599 Ave N Shift Values>> N :: 120.45(4.18) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 I 0.23 K 0.2 Q 0.16 M 0.01 R 0.01 C Shift Assignments>> CA :: 60.144 CB :: 29.049 CG :: 35.253 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 :: 8.267 HA :: 4.098 HB2 :: 2.456 HB3 :: 2.416 HG2 :: 2.37 HG3 :: 2.37 HE21 :: 7.878 HE22 :: 6.832 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 :: 120.818 NE2 :: 109.948 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 K 0.2 Y 0.18 L 0.17 D 0.12 I 0.03 R 0.02 N 0.01 C Shift Assignments>> CA :: 57.321 CB :: 41.243 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 :: 8.055 HA :: 4.446 HB2 :: 2.659 HB3 :: 2.659 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 :: 118.327 Ave N Shift Values>> N :: 120.65(3.86) 1.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 63.012 CB :: 62.655 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.165 HA :: 4.197 HB2 :: 3.508 HB3 :: 3.508 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.958 Ave N Shift Values>> N :: 116.28(3.52) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> CA :: 62.522 CB :: 37.648 CD1 :: 131.767 CD2 :: 131.767 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 :: 8.534 HA :: 4.353 HB2 :: 3.252 HB3 :: 2.819 HD1 :: 6.997 HD2 :: 6.997 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.403 Ave N Shift Values>> N :: 120.45(4.18) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.04 P 0.04 A 0.03 N 0.01 C Shift Assignments>> CA :: 47.549 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.057 HA2 :: 2.773 HA3 :: 3.877 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.102 Ave N Shift Values>> N :: 109.67(3.87) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.32 G 0.01 C Shift Assignments>> CA :: 58.741 CB :: 33.419 CG :: 25.835 CD :: 29.249 CE :: 42.217 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 :: 7.115 HA :: 4.098 HB2 :: 1.921 HB3 :: 1.921 HG2 :: 1.658 HG3 :: 1.492 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.949 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 :: 116.737 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.99 C Shift Assignments>> CA :: 60.343 CB :: 33.299 CG1 :: 21.679 CG2 :: 18.818 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 :: 6.915 HA :: 5.041 HB :: 2.574 HG11 :: 0.959 HG12 :: 0.959 HG13 :: 0.959 HG21 :: 1.342 HG22 :: 1.342 HG23 :: 1.342 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 :: 105.218(S) Ave N Shift Values>> N :: 121.14(4.54) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.19 I 0.15 V 0.04 C Shift Assignments>> CA :: 56.843 CB :: 18.762 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.528 HA :: 3.952 HB1 :: 1.146 HB2 :: 1.146 HB3 :: 1.146 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.909 Ave N Shift Values>> N :: 123.23(3.54) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 I 0.17 A 0.07 C Shift Assignments>> CA :: 56.964 CB :: 17.239 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.384 HA :: 3.814 HB1 :: 1.28 HB2 :: 1.28 HB3 :: 1.28 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.287 Ave N Shift Values>> N :: 123.23(3.54) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 K 0.18 Q 0.15 I 0.12 M 0.04 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> CA :: 58.95 CB :: 29.599 CG :: 35.56 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 :: 8.788 HA :: 3.936 HB2 :: 1.904 HB3 :: 2.064 HG2 :: 2.007 HG3 :: 2.231 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 :: 119.545 Ave N Shift Values>> N :: 120.67(3.48) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> CA :: 66.73 CB :: 32.129 CG1 :: 22.268 CG2 :: 23.683 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 :: 7.711 HA :: 3.459 HB :: 2.045 HG11 :: 0.446 HG12 :: 0.446 HG13 :: 0.446 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 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 :: 115.959 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 V 0.02 C Shift Assignments>> CA :: 58.701 CB :: 39.771 CG :: 29.192 CD1 :: 24.29 CD2 :: 25.098 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 :: 9.055 HA :: 3.843 HB2 :: 1.899 HB3 :: 1.267 HG :: 1.948 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 HD21 :: 0.905 HD22 :: 0.905 HD23 :: 0.905 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 :: 118.17 Ave N Shift Values>> N :: 121.86(3.9) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> CA :: 47.34 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.111 HA2 :: 3.542 HA3 :: 3.873 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.559 Ave N Shift Values>> N :: 109.67(3.87) 1.R89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.42 L 0.05 G 0.01 C Shift Assignments>> CA :: 58.261 CB :: 29.33 CG :: 26.738 CD :: 42.086 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 :: 7.302 HA :: 4.12 HB2 :: 1.849 HB3 :: 1.787 HG2 :: 1.653 HG3 :: 1.653 HD2 :: 3.156 HD3 :: 3.156 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.419 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.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 V 0.01 C Shift Assignments>> CA :: 64.621 CB :: 35.643 CG1 :: 25.224 CG2 :: 17.759 CD1 :: 13.979 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 :: 8.434 HA :: 3.78 HB :: 1.107 HG12 :: 1.515 HG13 :: 0.744 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 HD11 :: 0.554 HD12 :: 0.554 HD13 :: 0.554 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.301 Ave N Shift Values>> N :: 121.46(4.28) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 D 0.14 L 0.12 I 0.06 N 0.04 K 0.01 C Shift Assignments>> CA :: 56.986 CB :: 39.9 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 :: 7.659 HA :: 4.059 HB2 :: 2.697 HB3 :: 2.697 HD21 :: 7.671 HD22 :: 6.791 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 :: 118.004 ND2 :: 114.17 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.13 R 0.05 M 0.03 I 0.02 C Shift Assignments>> CA :: 57.809 CB :: 28.971 CG :: 34.04 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 :: 6.958 HA :: 4.071 HB2 :: 2.183 HB3 :: 2.183 HG2 :: 2.587 HG3 :: 2.405 HE21 :: 7.436 HE22 :: 6.833 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 :: 112.208 NE2 :: 112.144 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.28 Q 0.07 K 0.03 I 0.02 C Shift Assignments>> CA :: 56.867 CB :: 31.111 CG :: 36.138 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 :: 7.253 HA :: 4.226 HB2 :: 2.064 HB3 :: 1.997 HG2 :: 2.216 HG3 :: 2.304 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 :: 116.802 Ave N Shift Values>> N :: 120.67(3.48) 1.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 F 0.46 C Shift Assignments>> CA :: 52.519 CB :: 37.944 CD1 :: 129.687 CD2 :: 129.687 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 :: 7.974 HA :: 4.954 HB2 :: 3.331 HB3 :: 3.147 HD1 :: 6.928 HD2 :: 6.928 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 :: 120.756 Ave N Shift Values>> N :: 120.45(4.18) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.742 CB :: 32.579 CG :: 27.54 CD :: 50.584 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 :: 4.791 HB2 :: 2.472 HB3 :: 2.273 HG2 :: 2.197 HG3 :: 1.993 HD2 :: 4.076 HD3 :: 3.452 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.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.75 G 0.2 K 0.03 C Shift Assignments>> CA :: 60.961 CB :: 30.448 CG :: 27.091 CD :: 43.339 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>> HA :: 3.831 HB2 :: 2.008 HB3 :: 1.888 HG2 :: 1.639 HG3 :: 1.789 HD2 :: 3.243 HD3 :: 3.243 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) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.31 D 0.11 L 0.08 I 0.07 N 0.05 C Shift Assignments>> CA :: 57.101 CB :: 39.475 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 :: 9.157 HA :: 4.363 HB2 :: 2.673 HB3 :: 2.578 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.25 Ave N Shift Values>> N :: 120.65(3.86) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.98 C Shift Assignments>> CA :: 57.316 CB :: 40.316 CG :: 28.535 CD1 :: 24.584 CD2 :: 23.698 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 :: 7.321 HA :: 4.114 HB2 :: 0.918 HB3 :: 1.207 HG :: 1.455 HD11 :: 0.478 HD12 :: 0.478 HD13 :: 0.478 HD21 :: 0.422 HD22 :: 0.422 HD23 :: 0.422 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 :: 120.295 Ave N Shift Values>> N :: 121.86(3.9) 1.K99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.43 G 0.06 C Shift Assignments>> CA :: 61.317 CB :: 33.413 CG :: 26.103 CD :: 30.281 CE :: 42.447 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 :: 8.612 HA :: 4.141 HB2 :: 2.052 HB3 :: 2.052 HG2 :: 1.691 HG3 :: 1.691 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 3.055 HE3 :: 3.055 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 :: 122.316 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> CA :: 59.474 CB :: 32.161 CG :: 25.168 CD :: 29.383 CE :: 42.068 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 :: 7.599 HA :: 4.171 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 1.632 HG3 :: 1.481 HD2 :: 1.728 HD3 :: 1.728 HE2 :: 2.97 HE3 :: 2.97 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 :: 117.766 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.4 G 0.02 C Shift Assignments>> CA :: 59.545 CB :: 32.45 CG :: 26.199 CD :: 29.412 CE :: 42.329 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 :: 7.15 HA :: 4.141 HB2 :: 2.048 HB3 :: 2.048 HG2 :: 1.699 HG3 :: 1.59 HD2 :: 1.83 HD3 :: 1.571 HE2 :: 2.989 HE3 :: 2.989 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 :: 119.217 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 R 0.36 K 0.06 G 0.01 HN Overlap>> 1.L54 1.L54 C Shift Assignments>> CA :: 59.256 CB :: 41.552 CG :: 27.843 CD1 :: 26.977 CD2 :: 25.808 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 :: 8.303 HA :: 4.006 HB2 :: 2.245 HB3 :: 1.7 HG :: 1.609 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.873 HD22 :: 0.873 HD23 :: 0.873 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 :: 121.517 Ave N Shift Values>> N :: 121.86(3.9) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.25 V 0.24 I 0.2 P 0.12 S 0.08 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CB :: 62.306 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.554 HB2 :: 3.984 HB3 :: 3.984 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 :: 115.353 Ave N Shift Values>> N :: 116.28(3.52) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.14 K 0.04 C Shift Assignments>> CA :: 59.524 CB :: 29.673 CG :: 27.427 CD :: 43.388 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 :: 7.601 HA :: 4.142 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 1.809 HG3 :: 1.695 HD2 :: 3.234 HD3 :: 3.234 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.915 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.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.647 CB :: 31.556 CG1 :: 20.635 CG2 :: 23.07 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 :: 7.649 HA :: 3.64 HB :: 2.427 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 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 :: 119.447 Ave N Shift Values>> N :: 121.14(4.54) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V120 1.V120 C Shift Assignments>> CA :: 67.776 CB :: 31.221 CG1 :: 21.188 CG2 :: 24.298 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 :: 8.389 HA :: 3.438 HB :: 2.209 HG11 :: 0.895 HG12 :: 0.895 HG13 :: 0.895 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 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 :: 119.434 Ave N Shift Values>> N :: 121.14(4.54) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 I 0.08 E 0.08 N 0.08 D 0.06 L 0.03 M 0.02 C Shift Assignments>> CA :: 56.879 CB :: 38.219 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 :: 8.199 HA :: 4.431 HB2 :: 2.912 HB3 :: 2.859 HD21 :: 7.53 HD22 :: 6.962 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 :: 117.317 ND2 :: 112.591 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.849 CB :: 37.769 CG1 :: 29.144 CG2 :: 17.588 CD1 :: 13.365 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 :: 7.862 HA :: 3.851 HB :: 1.991 HG12 :: 1.684 HG13 :: 1.124 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 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 :: 122.043 Ave N Shift Values>> N :: 121.46(4.28) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 C Shift Assignments>> CA :: 58.156 CB :: 41.748 CG :: 26.116 CD1 :: 25.825 CD2 :: 23.744 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 :: 8.233 HA :: 3.723 HB2 :: 2.154 HB3 :: 1.068 HG :: 2.028 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 HD21 :: 0.654 HD22 :: 0.654 HD23 :: 0.654 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 :: 120.256 Ave N Shift Values>> N :: 121.86(3.9) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.89 R 0.1 HN Overlap>> 1.N121 1.N121 C Shift Assignments>> CA :: 59.734 CB :: 32.967 CG :: 25.099 CD :: 29.788 CE :: 41.643 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 :: 8.281 HA :: 4.033 HB2 :: 2.025 HB3 :: 1.866 HG2 :: 1.34 HG3 :: 1.654 HD2 :: 1.654 HD3 :: 1.654 HE2 :: 2.884 HE3 :: 2.884 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.352 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.2 K 0.08 M 0.05 Q 0.05 C Shift Assignments>> CA :: 59.146 CB :: 29.913 CG :: 36.352 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 :: 8.563 HA :: 3.997 HB2 :: 2.077 HB3 :: 2.161 HG2 :: 2.376 HG3 :: 2.281 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 :: 121.213 Ave N Shift Values>> N :: 120.67(3.48) 1.R112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 K 0.11 G 0.09 L 0.01 C Shift Assignments>> CA :: 55.59 CB :: 29.774 CG :: 27.841 CD :: 43.218 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 :: 7.904 HA :: 4.271 HB2 :: 1.578 HB3 :: 1.971 HG2 :: 1.752 HG3 :: 1.632 HD2 :: 2.921 HD3 :: 3.041 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 113.808 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.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 E 0.21 M 0.12 Y 0.11 F 0.07 D 0.03 K 0.02 I 0.01 C Shift Assignments>> CA :: 54.232 CB :: 36.823 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 :: 7.856 HA :: 4.45 HB2 :: 2.647 HB3 :: 2.927 HD21 :: 7.493 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 :: 115.648 ND2 :: 113.015 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.681 CB :: 36.839 CG1 :: 27.677 CG2 :: 16.703 CD1 :: 10.365 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 :: 7.562 HA :: 3.439 HB :: 1.223 HG12 :: 1.094 HG13 :: 1.3 HG21 :: 0.001 HG22 :: 0.001 HG23 :: 0.001 HD11 :: 0.471 HD12 :: 0.471 HD13 :: 0.471 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.932 Ave N Shift Values>> N :: 121.46(4.28) 1.F115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 Y 0.32 G 0.04 C Shift Assignments>> CA :: 53.741 CB :: 42.432 CD1 :: 131.605 CD2 :: 131.605 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 :: 8.065 HA :: 5.242 HB2 :: 3.411 HB3 :: 2.629 HD1 :: 7.217 HD2 :: 7.217 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 :: 115.105 Ave N Shift Values>> N :: 120.45(4.18) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.569 CB :: 64.799 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.67 HA :: 4.354 HB2 :: 4.356 HB3 :: 4.114 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 :: 115.904 Ave N Shift Values>> N :: 116.28(3.52) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> CA :: 59.501 CB :: 32.052 CG :: 24.913 CD :: 29.043 CE :: 42.143 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 :: 8.766 HA :: 3.938 HB2 :: 1.865 HB3 :: 1.804 HG2 :: 1.565 HG3 :: 1.472 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 3.006 HE3 :: 3.006 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 :: 120.923 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.36 R 0.11 E 0.07 I 0.04 M 0.02 HN Overlap>> 1.V63 1.S14 1.V63 1.S14 C Shift Assignments>> CA :: 59.149 CB :: 28.35 CG :: 33.734 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 :: 8.368 HA :: 3.97 HB2 :: 1.942 HB3 :: 2.135 HG2 :: 2.384 HG3 :: 2.384 HE21 :: 7.772 HE22 :: 6.898 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 :: 117.802 NE2 :: 114.793 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.619 CB :: 31.773 CG1 :: 21.902 CG2 :: 23.302 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 :: 7.436 HA :: 3.675 HB :: 2.207 HG11 :: 0.635 HG12 :: 0.635 HG13 :: 0.635 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 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 :: 121.093 Ave N Shift Values>> N :: 121.14(4.54) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> CA :: 68.009 CB :: 31.255 CG1 :: 21.828 CG2 :: 24.141 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 :: 8.402 HA :: 3.44 HB :: 2.149 HG11 :: 0.93 HG12 :: 0.93 HG13 :: 0.93 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 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 :: 119.398 Ave N Shift Values>> N :: 121.14(4.54) 1.N121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.26 N 0.11 D 0.08 E 0.07 I 0.07 L 0.04 M 0.02 HN Overlap>> 1.K110 1.K110 C Shift Assignments>> CA :: 56.56 CB :: 38.302 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 :: 8.31 HA :: 4.454 HB2 :: 2.904 HB3 :: 2.846 HD21 :: 7.614 HD22 :: 6.886 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 :: 118.397 ND2 :: 111.864 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.1 D 0.09 L 0.08 N 0.02 C Shift Assignments>> CA :: 57.63 CB :: 39.692 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 :: 8.332 HA :: 4.381 HB2 :: 2.975 HB3 :: 2.499 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 :: 121.924 Ave N Shift Values>> N :: 120.65(3.86) 1.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.455 CB :: 38.369 CG1 :: 28.227 CG2 :: 18.108 CD1 :: 14.456 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.028 HA :: 3.429 HB :: 2.122 HG12 :: 2.041 HG13 :: 0.492 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.6 Ave N Shift Values>> N :: 121.46(4.28) 1.E124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 E 0.26 K 0.02 C Shift Assignments>> CA :: 60.699 CB :: 29.273 CG :: 37.388 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 :: 8.684 HA :: 3.833 HB2 :: 2.229 HB3 :: 1.966 HG2 :: 2.577 HG3 :: 2.057 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 :: 118.557 Ave N Shift Values>> N :: 120.67(3.48) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.11 K 0.08 C Shift Assignments>> CA :: 59.381 CB :: 30.12 CG :: 27.574 CD :: 43.29 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 :: 8.359 HA :: 4.067 HB2 :: 1.92 HB3 :: 1.92 HG2 :: 1.781 HG3 :: 1.618 HD2 :: 3.212 HD3 :: 3.212 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 :: 119.586 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.S126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.432 CB :: 63.242 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.08 HA :: 4.244 HB2 :: 3.993 HB3 :: 3.897 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 :: 116.518 Ave N Shift Values>> N :: 116.28(3.52) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 C Shift Assignments>> CA :: 57.072 CB :: 41.303 CG :: 27.031 CD1 :: 25.999 CD2 :: 23.515 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 :: 4.161 HB2 :: 1.798 HB3 :: 1.509 HG :: 1.848 HD11 :: 0.8 HD12 :: 0.8 HD13 :: 0.8 HD21 :: 0.655 HD22 :: 0.655 HD23 :: 0.655 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 :: 121.282 Ave N Shift Values>> N :: 121.86(3.9) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> CA :: 53.448 CB :: 18.59 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.507 HA :: 4.182 HB1 :: 1.444 HB2 :: 1.444 HB3 :: 1.444 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.791 Ave N Shift Values>> N :: 123.23(3.54) 1.A129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C Shift Assignments>> CA :: 53.398 CB :: 18.723 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.661 HA :: 4.178 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.195 Ave N Shift Values>> N :: 123.23(3.54) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 52.784 CB :: 19.101 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.776 HA :: 4.25 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.987 Ave N Shift Values>> N :: 123.23(3.54) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.05 A 0.03 G 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> CA :: 55.271 CB :: 42.27 CG :: 26.918 CD1 :: 25.009 CD2 :: 23.346 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 :: 7.888 HA :: 4.247 HB2 :: 1.52 HB3 :: 1.629 HG :: 1.622 HD11 :: 0.889 HD12 :: 0.889 HD13 :: 0.889 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 :: 119.939 Ave N Shift Values>> N :: 121.86(3.9) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.16 Q 0.1 K 0.09 I 0.03 C Shift Assignments>> CA :: 56.577 CB :: 30.329 CG :: 36.147 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 :: 8.108 HA :: 4.157 HB2 :: 1.875 HB3 :: 1.875 HG2 :: 2.205 HG3 :: 2.118 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 :: 120.744 Ave N Shift Values>> N :: 120.67(3.48) 1.H133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 C Shift Assignments>> CA :: 56.013 CB :: 30.43 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 :: 8.246 HA :: 4.534 HB2 :: 2.992 HB3 :: 2.992 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.769 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H136 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H137 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 133 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 133 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 137 #Suspicious: 1 C Shift Results: #Consistent: 459 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 971 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K7 HD3 = 0.857(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3208e-04 1.K7 HE2 = 1.763(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.1328e-09 1.K7 HE3 = 1.597(S), Expected = 2.91, Std = 0.2000, ChiSquare = 5.2033e-11 1.K7 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.Q28 HG2 = 1.254(S), Expected = 2.32, Std = 0.2700, ChiSquare = 7.8758e-05 1.M43 HG3 = 0.394(S), Expected = 2.39, Std = 0.3800, ChiSquare = 1.4994e-07 1.M60 HG2 = 0.751(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.8554e-06 1.M60 HG3 = 0.594(S), Expected = 2.39, Std = 0.3800, ChiSquare = 2.2863e-06 1.V82 N = 105.218(S), Expected = 121.14, Std = 4.5400, ChiSquare = 4.5311e-04