Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.015 CB :: 63.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.290 HA :: 4.621 HB2 :: 3.791 HB3 :: 3.861 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 A 0.13 R 0.09 G 0.01 C Shift Assignments>> CA :: 53.803 CB :: 41.848 CG :: 26.293 CD1 :: 22.882 CD2 :: 26.610 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.492 HA :: 4.632 HB2 :: 1.678 HB3 :: 1.877 HG :: 1.552 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.130 Ave N Shift Values>> N :: 121.98(4.07) 1.K4 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.73 R 0.22 M 0.03 C Shift Assignments>> CA :: 59.378 CB :: 31.876 CG :: 24.751 CD :: 28.816 CE :: 41.247 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 10.698(S) HA :: 3.914 HB2 :: 1.296 HB3 :: 1.552 HG2 :: 1.082 HG3 :: 1.298 HD2 :: 1.134 HD3 :: 1.353 HE2 :: 2.421 HE3 :: 2.421 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.327 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.791 CB :: 63.049 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.875(S) HA :: 3.885 HB2 :: 4.056 HB3 :: 4.315 HG :: 6.246 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.618 Ave N Shift Values>> N :: 116.3(3.95) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 Y 0.33 I 0.19 L 0.04 D 0.03 E 0.01 K 0.01 C Shift Assignments>> CA :: 58.753 CB :: 39.537 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.825 HA :: 4.736 HB2 :: 2.900 HB3 :: 3.019 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.594 Ave N Shift Values>> N :: 120.73(4.2) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.17 M 0.1 K 0.1 Q 0.06 C Shift Assignments>> CA :: 58.848 CB :: 30.296 CG :: 36.098 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.752 HA :: 4.201 HB2 :: 2.090 HB3 :: 2.286 HG2 :: 2.286 HG3 :: 2.387 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.450 Ave N Shift Values>> N :: 120.68(3.68) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.332 CB :: 31.011 CG1 :: 20.517 CG2 :: 22.554 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.010 HA :: 3.333 HB :: 1.764 HG11 :: 0.209 HG12 :: 0.209 HG13 :: 0.209 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.914 Ave N Shift Values>> N :: 121.02(4.96) 1.F9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.83 Y 0.13 W 0.03 C Shift Assignments>> CA :: 63.331 CB :: 37.028 CD1 :: 129.539 CE1 :: 127.297 CZ :: 127.230 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.384 HA :: 3.507 HB2 :: 1.739(S) HB3 :: 1.992 HD1 :: 6.536 HD2 :: 6.536 HE1 :: 6.389 HE2 :: 6.389 HZ :: 6.461 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.845 Ave N Shift Values>> N :: 120.69(4.18) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.36 I 0.03 C Shift Assignments>> CA :: 54.941 CB :: 17.546 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.910 HA :: 4.183 HB1 :: 1.506 HB2 :: 1.506 HB3 :: 1.506 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.781 Ave N Shift Values>> N :: 123.23(3.7) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.36 M 0.01 G 0.01 C Shift Assignments>> CA :: 59.500 CB :: 32.367 CG :: 25.819 CD :: 29.235 CE :: 42.105 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.356 HA :: 4.030 HB2 :: 1.708 HB3 :: 2.009 HG2 :: 1.428 HG3 :: 1.710 HD2 :: 1.554 HE2 :: 2.842 HE3 :: 2.854 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.673 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.128 CB :: 37.318 CG1 :: 29.441 CG2 :: 18.395 CD1 :: 13.276 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.424 HA :: 3.284 HB :: 1.728 HG12 :: 1.589 HG13 :: 0.556 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.030 HD12 :: 0.030 HD13 :: 0.030 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.004 Ave N Shift Values>> N :: 121.6(4.72) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.24 I 0.07 C Shift Assignments>> CA :: 55.721 CB :: 17.611 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.206 HA :: 3.824 HB1 :: 1.566 HB2 :: 1.566 HB3 :: 1.566 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.053 Ave N Shift Values>> N :: 123.23(3.7) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.41 M 0.02 HN Overlap>> 1.M90 1.M90 C Shift Assignments>> CA :: 58.069 CB :: 31.584 CG :: 24.215 CD :: 28.158 CE :: 41.803 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.244 HA :: 4.124 HB2 :: 1.902 HB3 :: 1.902 HG2 :: 1.505 HG3 :: 1.495 HD2 :: 1.703 HD3 :: 1.732 HE2 :: 2.938 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.968 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.17 H 0.16 W 0.13 E 0.13 R 0.1 M 0.03 L 0.03 I 0.02 C Shift Assignments>> CA :: 56.467 CB :: 28.950 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.116 HA :: 4.309 HB2 :: 1.823 HB3 :: 2.180 HG2 :: 1.412 HD2 :: 3.028 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.094 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.03 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> CA :: 56.621 CB :: 39.877 CG :: 26.466 CD1 :: 22.795 CD2 :: 24.590 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.153 HA :: 3.898 HB2 :: 1.874 HB3 :: 1.426 HG :: 2.066 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.896 Ave N Shift Values>> N :: 121.98(4.07) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.18 K 0.14 Q 0.06 M 0.06 C Shift Assignments>> CA :: 58.289 CB :: 29.554 CG :: 36.222 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.456 HA :: 4.122 HB2 :: 2.200 HB3 :: 2.199 HG2 :: 2.321 HG3 :: 2.659 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.967 Ave N Shift Values>> N :: 120.68(3.68) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.372 CB :: 63.309 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.395 HA :: 4.680 HB2 :: 3.930 HB3 :: 4.036 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.010 Ave N Shift Values>> N :: 116.3(3.95) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.800 CB :: 38.174 CG1 :: 29.445 CG2 :: 16.672 CD1 :: 14.670 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.982 HA :: 3.877 HB :: 1.814 HG12 :: 1.597 HG13 :: 1.194 HG21 :: 0.744 HG22 :: 0.744 HG23 :: 0.744 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.245 Ave N Shift Values>> N :: 121.6(4.72) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.17 G 0.16 N 0.16 R 0.04 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 49.626 CB :: 42.099 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.908 HA :: 5.107 HB2 :: 2.941 HB3 :: 2.665 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 128.809 Ave N Shift Values>> N :: 120.73(4.2) 1.P21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.725 CB :: 32.283 CG :: 27.068 CD :: 51.178 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.064 HB2 :: 1.971 HB3 :: 2.378 HG2 :: 1.988 HG3 :: 2.060 HD2 :: 4.103 HD3 :: 3.991 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> CA :: 52.144 CB :: 19.319 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.012 HA :: 4.353 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.092 Ave N Shift Values>> N :: 123.23(3.7) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.32 L 0.07 F 0.05 Y 0.05 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> CA :: 51.906 CB :: 39.807 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.940 HA :: 4.956 HB2 :: 2.382 HB3 :: 2.655 HD21 :: 8.763 HD22 :: 6.997 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.242 ND2 :: 118.061 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 K 0.22 A 0.22 C Shift Assignments>> CA :: 53.622 CB :: 28.941 CG :: 23.071 CD :: 39.736 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.839 HA :: 4.347 HB2 :: 1.458 HB3 :: 1.791 HG2 :: 1.503 HG3 :: 1.865 HD2 :: 3.226 HD3 :: 3.210 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.816 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.17 Q 0.14 C Shift Assignments>> CA :: 56.953 CB :: 33.525 CG :: 34.305 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.496 HA :: 4.568 HB2 :: 1.735 HB3 :: 2.413 HG2 :: 2.331 HG3 :: 2.464 HE21 :: 7.329 HE22 :: 6.940 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.485 NE2 :: 112.288 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> CA :: 61.778 CB :: 34.316 CG1 :: 21.672 CG2 :: 23.849 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.469 HA :: 4.281 HB :: 2.086 HG11 :: 1.034 HG12 :: 1.034 HG13 :: 1.034 HG21 :: 1.178 HG22 :: 1.178 HG23 :: 1.178 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.879 Ave N Shift Values>> N :: 121.02(4.96) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.28 I 0.04 K 0.03 HN Overlap>> 1.L53 1.L53 C Shift Assignments>> CA :: 53.467 CB :: 30.897 CG :: 37.634 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.718 HA :: 4.333 HB2 :: 1.604 HB3 :: 1.807 HG2 :: 1.800 HG3 :: 1.874 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.728 Ave N Shift Values>> N :: 120.68(3.68) 1.H28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.43 Y 0.01 C Shift Assignments>> CA :: 54.648 CB :: 33.375 CD2 :: 119.840 CE1 :: 136.050 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 6.271 HA :: 5.023 HB2 :: 2.534 HB3 :: 2.636 HD2 :: 7.139 HE1 :: 8.080 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 115.190 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.641 CB :: 33.359 CG1 :: 21.178 CG2 :: 21.148 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.645 HA :: 4.800 HB :: 1.989 HG11 :: 0.987 HG12 :: 0.987 HG13 :: 0.987 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.129 Ave N Shift Values>> N :: 121.02(4.96) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.8 G 0.19 C Shift Assignments>> CA :: 56.470 CB :: 42.805 CD1 :: 131.422 CE1 :: 115.563 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.723 HA :: 5.133 HB2 :: 2.383 HB3 :: 2.768 HD1 :: 6.861 HD2 :: 6.861 HE1 :: 6.185 HE2 :: 6.185 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 126.166 Ave N Shift Values>> N :: 120.79(4.69) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.78 R 0.13 M 0.03 A 0.02 G 0.01 C Shift Assignments>> CA :: 53.852 CB :: 35.162 CG :: 24.180 CD :: 28.976 CE :: 41.758 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.629 HA :: 5.791(S) HB2 :: 1.349 HB3 :: 1.966 HG2 :: 1.135 HG3 :: 1.755 HD2 :: 1.422 HE2 :: 2.831 HE3 :: 2.818 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.602 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 Y 0.21 G 0.03 C Shift Assignments>> CA :: 55.923 CB :: 41.573 CD1 :: 131.070 CE1 :: 128.572 CZ :: 125.617 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.058 HA :: 5.386 HB2 :: 3.120 HB3 :: 3.324 HD1 :: 7.364 HD2 :: 7.364 HE1 :: 7.127 HE2 :: 7.127 HZ :: 6.714 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.575 Ave N Shift Values>> N :: 120.69(4.18) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.3 K 0.06 C Shift Assignments>> CA :: 55.256 CB :: 31.206 CG :: 26.471 CD :: 44.087 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.861 HA :: 5.009 HB2 :: 1.765 HB3 :: 2.029 HG2 :: 1.459 HG3 :: 1.671 HD2 :: 3.101 HD3 :: 3.066 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.701 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 A 0.39 C Shift Assignments>> CA :: 57.467 CB :: 36.257 CG1 :: 26.672 CG2 :: 17.929 CD1 :: 9.405 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.061 HA :: 5.189 HB :: 2.251 HG12 :: 1.664 HG13 :: 1.961 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 HD11 :: 1.063 HD12 :: 1.063 HD13 :: 1.063 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.913 Ave N Shift Values>> N :: 121.6(4.72) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.345 CB :: 71.306 CG2 :: 21.125 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.081 HA :: 5.376 HB :: 3.696 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.316 Ave N Shift Values>> N :: 115.7(5.05) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 E 0.24 Q 0.17 K 0.02 C Shift Assignments>> CA :: 55.852 CB :: 32.495 CG :: 34.703 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.735 HA :: 4.893 HB2 :: 1.879 HB3 :: 2.039 HG2 :: 2.300 HG3 :: 2.310 HE21 :: 7.615 HE22 :: 6.814 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.628 NE2 :: 111.796 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.003 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.636 HA2 :: 3.931 HA3 :: 3.949 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 122.600 Ave N Shift Values>> N :: 109.91(4.29) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.925 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.429 HA2 :: 3.503 HA3 :: 4.227 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.126 Ave N Shift Values>> N :: 109.91(4.29) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.15 M 0.04 G 0.01 C Shift Assignments>> CA :: 54.074 CB :: 33.451 CG :: 24.463 CD :: 28.924 CE :: 41.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.289 HA :: 4.575 HB2 :: 1.788 HB3 :: 1.734 HG2 :: 1.335 HG3 :: 1.335 HD2 :: 1.652 HE2 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.629 CB :: 31.401 CG1 :: 21.099 CG2 :: 22.114 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.848 HA :: 3.649 HB :: 1.903 HG11 :: 0.773 HG12 :: 0.773 HG13 :: 0.773 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.340 Ave N Shift Values>> N :: 121.02(4.96) 1.V41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.495 CB :: 33.759 CG1 :: 20.170 CG2 :: 21.936 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.263 HA :: 4.496 HB :: 2.183 HG11 :: 0.853 HG12 :: 0.853 HG13 :: 0.853 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.513 Ave N Shift Values>> N :: 121.02(4.96) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.35 M 0.01 G 0.01 C Shift Assignments>> CA :: 57.173 CB :: 36.838 CG :: 25.700 CD :: 29.882 CE :: 41.715 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.656 HA :: 4.254 HB2 :: 1.307 HB3 :: 1.509 HG2 :: 0.842 HG3 :: 1.016 HD2 :: 1.645 HD3 :: 1.619 HE2 :: 2.564 HE3 :: 2.659 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.350 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.23 R 0.17 D 0.16 K 0.03 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> CA :: 52.348 CB :: 43.512 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.827 HA :: 5.703 HB2 :: 2.319 HB3 :: 2.288 HD21 :: 6.254 HD22 :: 7.089 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.739 ND2 :: 111.395 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 H 0.02 C Shift Assignments>> CA :: 55.282 CB :: 33.651 CD1 :: 125.000 CE3 :: 117.200 CZ2 :: 111.917 CZ3 :: 119.287 CH2 :: 122.306 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.309 HA :: 5.207 HB2 :: 2.729 HB3 :: 2.731 HD1 :: 6.069 HE1 :: 10.076 HE3 :: 6.936 HZ2 :: 7.237 HZ3 :: 6.826 HH2 :: 7.031 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.615 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.406 CB :: 33.135 CG1 :: 22.163 CG2 :: 21.908 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.802 HA :: 4.938 HB :: 2.002 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.468 Ave N Shift Values>> N :: 121.02(4.96) 1.M46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.44 I 0.01 C Shift Assignments>> CA :: 54.274 CB :: 35.952 CG :: 31.436 CE :: 17.839 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.708 HA :: 5.011 HB2 :: 1.794 HB3 :: 2.867 HG2 :: 2.193 HG3 :: 2.384 HE1 :: 2.035 HE2 :: 2.035 HE3 :: 2.035 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 129.138 Ave N Shift Values>> N :: 120.1(3.88) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.19 N 0.19 K 0.08 F 0.05 Y 0.04 R 0.03 C Shift Assignments>> CA :: 52.315 CB :: 41.340 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.258 HA :: 4.937 HB2 :: 2.540 HB3 :: 3.258 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.023 Ave N Shift Values>> N :: 120.73(4.2) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 A 0.17 C Shift Assignments>> CA :: 54.696 CB :: 41.304 CG :: 26.768 CD1 :: 22.943 CD2 :: 22.181 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.334 HA :: 4.544 HB2 :: 2.211 HB3 :: 2.552 HG :: 1.050 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.261 Ave N Shift Values>> N :: 121.98(4.07) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.34 M 0.02 G 0.01 C Shift Assignments>> CA :: 59.477 CB :: 31.791 CG :: 25.498 CD :: 29.198 CE :: 42.072 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.692 HA :: 4.211 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 1.012 HG3 :: 1.045 HD2 :: 1.554 HE2 :: 2.887 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.904 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.29 Y 0.09 F 0.08 L 0.07 C Shift Assignments>> CA :: 53.369 CB :: 39.402 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.578 HA :: 4.549 HB2 :: 2.333 HB3 :: 2.652 HD21 :: 7.812 HD22 :: 6.824 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.574 ND2 :: 113.761 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 L 0.01 C Shift Assignments>> CA :: 65.086 CB :: 27.861 CG1 :: 22.104 CG2 :: 24.883 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.321 HA :: 3.386 HB :: 2.616 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.753 Ave N Shift Values>> N :: 121.02(4.96) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.24 M 0.03 G 0.01 C Shift Assignments>> CA :: 55.367 CB :: 36.193 CG :: 24.321 CD :: 29.016 CE :: 41.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.592 HA :: 4.599 HB2 :: 1.882 HB3 :: 1.670 HG2 :: 1.312 HG3 :: 1.326 HD2 :: 1.611 HE2 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.583 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.22 R 0.2 A 0.03 HN Overlap>> 1.E27 1.E27 C Shift Assignments>> CA :: 53.923 CB :: 44.429 CG :: 27.622 CD1 :: 23.557 CD2 :: 27.709 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.750 HA :: 5.664 HB2 :: 1.129 HB3 :: 1.991 HG :: 1.667 HD11 :: 1.023 HD12 :: 1.023 HD13 :: 1.023 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.757 Ave N Shift Values>> N :: 121.98(4.07) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 A 0.01 I 0.01 C Shift Assignments>> CA :: 59.180 CB :: 36.437 CG1 :: 21.466 CG2 :: 21.402 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.112 HA :: 4.815 HB :: 2.092 HG11 :: 0.989 HG12 :: 0.989 HG13 :: 0.989 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.424 Ave N Shift Values>> N :: 121.02(4.96) 1.E55 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.41 K 0.27 Q 0.2 M 0.04 I 0.04 R 0.01 C Shift Assignments>> CA :: 55.566 CB :: 28.711 CG :: 35.607 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.627 HA :: 4.570 HB2 :: 1.350 HB3 :: 1.618 HG2 :: 0.839(A) HG3 :: 1.189(S) Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.256 Ave N Shift Values>> N :: 120.68(3.68) 1.S56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.995 CB :: 64.426 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.598 HA :: 4.283 HB2 :: 3.400 HB3 :: 3.849 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.514 Ave N Shift Values>> N :: 116.3(3.95) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.26 L 0.16 K 0.05 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> CA :: 51.304 CB :: 41.241 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.077 HA :: 4.972 HB2 :: 2.206 HB3 :: 2.562 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.923 Ave N Shift Values>> N :: 120.73(4.2) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.26 K 0.16 R 0.1 F 0.07 N 0.06 Y 0.05 C Shift Assignments>> CA :: 54.116 CB :: 41.938 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.255 HA :: 4.433 HB2 :: 2.351 HB3 :: 2.806 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.834 Ave N Shift Values>> N :: 120.73(4.2) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 C Shift Assignments>> CA :: 52.744 CB :: 19.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.090 HA :: 4.022 HB1 :: 1.249 HB2 :: 1.249 HB3 :: 1.249 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.307 Ave N Shift Values>> N :: 123.23(3.7) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.45 L 0.34 K 0.08 A 0.03 M 0.03 R 0.02 HN Overlap>> 1.L16 1.L16 C Shift Assignments>> CA :: 50.178 CB :: 24.347 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.086 HA :: 4.423 HB1 :: 1.120 HB2 :: 1.120 HB3 :: 1.120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.896 Ave N Shift Values>> N :: 123.23(3.7) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.3 M 0.14 K 0.01 HN Overlap>> 1.N23 1.N23 C Shift Assignments>> CA :: 58.110 CB :: 31.974 CG :: 38.415 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.884 HA :: 4.059 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.216 HG3 :: 2.288 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.209 Ave N Shift Values>> N :: 120.68(3.68) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.17 L 0.09 C Shift Assignments>> CA :: 51.952 CB :: 21.082 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.163 HA :: 4.884 HB1 :: 1.048 HB2 :: 1.048 HB3 :: 1.048 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.733 Ave N Shift Values>> N :: 123.23(3.7) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.649 CB :: 70.764 CG2 :: 21.277 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.598 HA :: 5.181 HB :: 3.815 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.003 Ave N Shift Values>> N :: 115.7(5.05) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.21 K 0.08 L 0.08 C Shift Assignments>> CA :: 55.367 CB :: 43.857 CG :: 29.573 CD1 :: 27.686 CD2 :: 24.650 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.617 HA :: 5.230 HB2 :: 1.645 HB3 :: 1.679 HG :: 1.579 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 131.002 Ave N Shift Values>> N :: 121.98(4.07) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.767 CB :: 70.246 CG2 :: 20.776 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.162 HA :: 5.813 HB :: 3.947 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.253 Ave N Shift Values>> N :: 115.7(5.05) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.31 I 0.03 K 0.02 Q 0.01 C Shift Assignments>> CA :: 54.886 CB :: 37.130 CG :: 31.431 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.053 HA :: 4.829 HB2 :: 2.327 HB3 :: 2.327 HG2 :: 2.254 HG3 :: 2.644 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.602 Ave N Shift Values>> N :: 120.1(3.88) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.22 I 0.09 K 0.01 C Shift Assignments>> CA :: 55.326 CB :: 31.261 CG :: 37.946 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.906 HA :: 4.984 HB2 :: 2.051 HB3 :: 2.456 HG2 :: 2.251 HG3 :: 2.529 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.611 Ave N Shift Values>> N :: 120.68(3.68) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.16 F 0.13 K 0.1 Y 0.08 G 0.08 I 0.02 D 0.01 C Shift Assignments>> CA :: 58.842 CB :: 43.328 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.690 HA :: 4.373 HB2 :: 2.634 HB3 :: 2.950 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.290 Ave N Shift Values>> N :: 120.73(4.2) 1.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 L 0.1 D 0.09 I 0.08 K 0.08 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.698 CB :: 40.231 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.939 HA :: 4.242 HB2 :: 2.648 HB3 :: 2.734 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.103 Ave N Shift Values>> N :: 120.73(4.2) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 M 0.06 A 0.01 V 0.01 C Shift Assignments>> CA :: 60.750 CB :: 34.909 CG1 :: 26.490 CG2 :: 16.600 CD1 :: 8.057 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.442 HA :: 4.010 HB :: 2.437 HG12 :: 1.760 HG13 :: 1.760 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 HD11 :: 0.694 HD12 :: 0.694 HD13 :: 0.694 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.486 Ave N Shift Values>> N :: 121.6(4.72) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 M 0.26 E 0.18 K 0.17 R 0.02 C Shift Assignments>> CA :: 57.748 CB :: 31.130 CG :: 33.507 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.181 HA :: 4.236 HB2 :: 2.059 HB3 :: 2.377 HG2 :: 1.830 HG3 :: 3.164 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.727 Ave N Shift Values>> N :: 120.1(3.88) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.77 Y 0.22 C Shift Assignments>> CA :: 62.136 CB :: 39.493 CD1 :: 129.566 CE1 :: 129.964 CZ :: 129.110 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.422 HA :: 3.861 HB2 :: 2.645 HB3 :: 3.136 HD1 :: 6.956 HD2 :: 6.956 HE1 :: 7.249 HE2 :: 7.249 HZ :: 6.922 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.271 Ave N Shift Values>> N :: 120.69(4.18) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 V 0.01 C Shift Assignments>> CA :: 55.538 CB :: 18.784 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.948 HA :: 3.828 HB1 :: 1.567 HB2 :: 1.567 HB3 :: 1.567 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.913 Ave N Shift Values>> N :: 123.23(3.7) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.754 CB :: 38.278 CG1 :: 27.678 CG2 :: 16.741 CD1 :: 15.078 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.979 HA :: 4.308 HB :: 1.769 HG12 :: 1.345 HG13 :: 1.104 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.702 HD12 :: 0.702 HD13 :: 0.702 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.160 Ave N Shift Values>> N :: 121.6(4.72) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.251 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.739 HA2 :: 3.496 HA3 :: 3.316 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.572 Ave N Shift Values>> N :: 109.91(4.29) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.848 CB :: 70.010 CG2 :: 20.383 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.027 HA :: 4.221 HB :: 4.133 HG21 :: 0.428 HG22 :: 0.428 HG23 :: 0.428 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.295 Ave N Shift Values>> N :: 115.7(5.05) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.489 HA2 :: 4.049 HA3 :: 3.748 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.671 Ave N Shift Values>> N :: 109.91(4.29) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 L 0.01 C Shift Assignments>> CA :: 53.185 CB :: 19.294 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.980 HA :: 4.232 HB1 :: 1.331 HB2 :: 1.331 HB3 :: 1.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 123.23(3.7) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 A 0.06 L 0.06 C Shift Assignments>> CA :: 50.949 CB :: 46.042 CG :: 26.498 CD1 :: 23.048 CD2 :: 26.545 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.878 HA :: 4.846 HB2 :: 1.242 HB3 :: 1.414 HG :: 1.384 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.816 HD22 :: 0.816 HD23 :: 0.816 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.253 Ave N Shift Values>> N :: 121.98(4.07) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.489 CB :: 32.962 CG :: 27.714 CD :: 51.725 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.503 HB2 :: 1.789 HB3 :: 2.627 HG2 :: 1.967 HG3 :: 2.107 HD2 :: 3.889 HD3 :: 3.589 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.29 I 0.06 C Shift Assignments>> CA :: 55.561 CB :: 17.875 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.915 HA :: 3.803 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.605 Ave N Shift Values>> N :: 123.23(3.7) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.33 M 0.01 G 0.01 C Shift Assignments>> CA :: 60.080 CB :: 32.225 CG :: 26.128 CD :: 29.091 CE :: 41.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.541 HA :: 4.069 HB2 :: 1.774 HB3 :: 1.823 HG2 :: 1.339 HG3 :: 1.553 HD2 :: 1.560 HD3 :: 1.623 HE2 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.922 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.18 K 0.16 Q 0.09 M 0.04 C Shift Assignments>> CA :: 58.541 CB :: 29.331 CG :: 35.988 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 6.992 HA :: 4.226 HB2 :: 2.018 HB3 :: 2.040 HG2 :: 2.176 HG3 :: 2.235 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.352 Ave N Shift Values>> N :: 120.68(3.68) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.28 I 0.06 V 0.01 C Shift Assignments>> CA :: 55.721 CB :: 18.182 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.903 HA :: 3.826 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.850 Ave N Shift Values>> N :: 123.23(3.7) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 C Shift Assignments>> CA :: 59.463 CB :: 33.434 CG :: 32.582 CE :: 20.964 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.162 HA :: 4.281 HB2 :: 2.113 HB3 :: 2.128 HG2 :: 2.484 HG3 :: 2.404 HE1 :: 2.123 HE2 :: 2.123 HE3 :: 2.123 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.550 Ave N Shift Values>> N :: 120.1(3.88) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> CA :: 54.755 CB :: 18.284 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.982 HA :: 4.211 HB1 :: 1.588 HB2 :: 1.588 HB3 :: 1.588 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.039 Ave N Shift Values>> N :: 123.23(3.7) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.34 E 0.11 R 0.08 M 0.07 C Shift Assignments>> CA :: 55.036 CB :: 28.821 CG :: 33.794 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.658 HA :: 4.373 HB2 :: 1.758 HB3 :: 2.417 HG2 :: 2.388 HG3 :: 2.597 HE21 :: 7.509 HE22 :: 6.668 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 113.895 NE2 :: 110.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.22 N 0.16 D 0.15 L 0.05 E 0.05 I 0.04 M 0.01 C Shift Assignments>> CA :: 55.941 CB :: 38.778 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.114 HA :: 4.500 HB2 :: 2.752 HB3 :: 3.077 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.010 Ave N Shift Values>> N :: 120.73(4.2) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.02 G 0.01 C Shift Assignments>> CA :: 55.418 CB :: 33.527 CG :: 25.394 CD :: 28.991 CE :: 42.113 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.390 HA :: 4.440 HB2 :: 1.572 HB3 :: 2.125 HG2 :: 1.411 HG3 :: 1.454 HD2 :: 1.610 HE2 :: 2.989 HE3 :: 2.951 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.390 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.23 I 0.06 K 0.03 HN Overlap>> 1.K14 1.K14 C Shift Assignments>> CA :: 55.376 CB :: 37.343 CG :: 31.066 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.225 HA :: 4.873 HB2 :: 1.814 HB3 :: 1.865 HG2 :: 2.092 HG3 :: 2.251 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.904 Ave N Shift Values>> N :: 120.1(3.88) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.39 Q 0.03 C Shift Assignments>> CA :: 54.742 CB :: 32.709 CG :: 36.188 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.708 HA :: 4.734 HB2 :: 2.038 HB3 :: 1.897 HG2 :: 2.227 HG3 :: 2.255 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.675 Ave N Shift Values>> N :: 120.68(3.68) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 60.442 CB :: 34.316 CG1 :: 22.169 CG2 :: 21.767 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.843 HA :: 5.163 HB :: 1.954 HG11 :: 0.845 HG12 :: 0.845 HG13 :: 0.845 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.379 Ave N Shift Values>> N :: 121.02(4.96) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 R 0.04 D 0.02 C Shift Assignments>> CA :: 52.384 CB :: 44.868 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.084 HA :: 4.991 HB2 :: 2.545 HB3 :: 2.524 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.576 Ave N Shift Values>> N :: 120.73(4.2) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.767 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.471 HA2 :: 4.391 HA3 :: 3.686 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.830 Ave N Shift Values>> N :: 109.91(4.29) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.31 R 0.15 E 0.07 M 0.02 C Shift Assignments>> CA :: 55.025 CB :: 27.281 CG :: 33.850 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.335 HA :: 4.470 HB2 :: 1.791 HB3 :: 2.039 HG2 :: 2.277 HG3 :: 2.379 HE21 :: 7.650 HE22 :: 6.834 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.674 NE2 :: 111.397 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.067 CB :: 31.964 CG1 :: 20.683 CG2 :: 21.507 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.858 HA :: 3.261 HB :: 1.982 HG11 :: 0.918 HG12 :: 0.918 HG13 :: 0.918 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.103 Ave N Shift Values>> N :: 121.02(4.96) 1.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 I 0.33 K 0.16 Q 0.07 R 0.01 C Shift Assignments>> CA :: 58.943 CB :: 28.009 CG :: 36.087 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.270 HA :: 4.110 HB2 :: 2.048 HB3 :: 2.144 HG2 :: 2.294 HG3 :: 2.362 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.116 Ave N Shift Values>> N :: 120.68(3.68) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 L 0.3 R 0.05 C Shift Assignments>> CA :: 56.378 CB :: 40.832 CG :: 25.967 CD1 :: 26.274 CD2 :: 19.588 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.801 HA :: 4.017 HB2 :: 1.094 HB3 :: 1.628 HG :: 1.536 HD11 :: 0.302 HD12 :: 0.302 HD13 :: 0.302 HD21 :: 0.075 HD22 :: 0.075 HD23 :: 0.075 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.341 Ave N Shift Values>> N :: 121.98(4.07) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.533 CB :: 36.960 CG1 :: 25.626 CG2 :: 18.162 CD1 :: 15.083 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.317 HA :: 3.890 HB :: 1.689 HG12 :: 1.087 HG13 :: 1.089 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.505 HD12 :: 0.505 HD13 :: 0.505 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.869 Ave N Shift Values>> N :: 121.6(4.72) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.46 C Shift Assignments>> CA :: 59.642 CB :: 37.290 CD1 :: 131.265 CE1 :: 130.480 CZ :: 129.110 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.716 HA :: 4.442 HB2 :: 2.880 HB3 :: 3.565 HD1 :: 7.367 HD2 :: 7.367 HE1 :: 7.023 HE2 :: 7.023 HZ :: 6.918 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 117.958 Ave N Shift Values>> N :: 120.69(4.18) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.24 A 0.1 G 0.03 C Shift Assignments>> CA :: 56.080 CB :: 42.386 CG :: 26.990 CD1 :: 26.459 CD2 :: 21.671 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.225 HA :: 4.273 HB2 :: 1.739 HB3 :: 1.935 HG :: 1.155 HD11 :: 1.153 HD12 :: 1.153 HD13 :: 1.153 HD21 :: 1.028 HD22 :: 1.028 HD23 :: 1.028 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.083 Ave N Shift Values>> N :: 121.98(4.07) 1.L102 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 G 0.14 C Shift Assignments>> CA :: 55.007 CB :: 42.591 CG :: 21.128(S) CD1 :: 21.397 CD2 :: 24.460 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.281 HA :: 4.444 HB2 :: 1.420 HB3 :: 1.969 HG :: 1.033 HD11 :: 0.543 HD12 :: 0.543 HD13 :: 0.543 HD21 :: -0.011 HD22 :: -0.011 HD23 :: -0.011 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 110.993 Ave N Shift Values>> N :: 121.98(4.07) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 E 0.07 C Shift Assignments>> CA :: 61.664 CB :: 28.286 CG :: 38.192 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.082 HA :: 4.022 HB2 :: 2.288 HB3 :: 2.251 HG2 :: 2.517 HG3 :: 2.251 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.094 Ave N Shift Values>> N :: 120.68(3.68) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 65.050 CB :: 31.213 CG :: 27.670 CD :: 50.916 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.305 HB2 :: 0.937 HB3 :: 2.122 HG2 :: 1.799 HG3 :: 1.813 HD2 :: 3.736 HD3 :: 3.494 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 Y 0.23 C Shift Assignments>> CA :: 58.705 CB :: 40.097 CD1 :: 129.444 CE1 :: 130.104 CZ :: 127.938 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.513 HA :: 4.456 HB2 :: 2.951 HB3 :: 3.097 HD1 :: 7.300 HD2 :: 7.300 HE1 :: 7.393 HE2 :: 7.393 HZ :: 7.165 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.573 Ave N Shift Values>> N :: 120.69(4.18) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.626 CB :: 37.894 CG1 :: 30.053 CG2 :: 16.646 CD1 :: 14.056 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.778 HA :: 3.363 HB :: 1.859 HG12 :: 1.882 HG13 :: 0.770 HG21 :: 0.762 HG22 :: 0.762 HG23 :: 0.762 HD11 :: 1.003 HD12 :: 1.003 HD13 :: 1.003 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.828 Ave N Shift Values>> N :: 121.6(4.72) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.41 I 0.01 C Shift Assignments>> CA :: 53.967 CB :: 18.091 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.340 HA :: 4.113 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.459 Ave N Shift Values>> N :: 123.23(3.7) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.911 CB :: 64.367 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.634 HA :: 4.461 HB2 :: 4.101 HB3 :: 4.185 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.707 Ave N Shift Values>> N :: 116.3(3.95) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.29 C Shift Assignments>> CA :: 54.651 CB :: 40.701 CG :: 24.968 CD1 :: 22.365 CD2 :: 22.441 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.457 HA :: 4.231 HB2 :: 1.173 HB3 :: 2.036 HG :: 0.711 HD11 :: 0.508 HD12 :: 0.508 HD13 :: 0.508 HD21 :: 0.542 HD22 :: 0.542 HD23 :: 0.542 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.245 Ave N Shift Values>> N :: 121.98(4.07) 1.K110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.29 M 0.04 C Shift Assignments>> CA :: 56.871 CB :: 32.830 CG :: 24.910 CD :: 28.780 CE :: 41.780 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.584 HA :: 4.273 HB2 :: 1.786 HG2 :: 1.379 HG3 :: 1.327 HD2 :: 1.610 HE2 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.036 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.PLM1 Overall Status: Residue type PLM not supported. ########################################################################### Overall Results: #Consistent: 104 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 375 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 781 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 1 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K4 H = 10.698(S), Expected = 8.22, Std = 0.6400, ChiSquare = 1.0800e-04 1.S5 H = 10.875(S), Expected = 8.29, Std = 0.6200, ChiSquare = 3.0546e-05 1.F9 HB2 = 1.739(S), Expected = 2.99, Std = 0.3700, ChiSquare = 7.2201e-04 1.K31 HA = 5.791(S), Expected = 4.28, Std = 0.4500, ChiSquare = 7.8572e-04 1.E55 HG2 = 0.839(A), Expected = 2.31, Std = 0.2100, ChiSquare = 2.4741e-12 1.E55 HG3 = 1.189(S), Expected = 2.31, Std = 0.2100, ChiSquare = 9.3928e-08 1.L102 Typing: Suspicious 1.L102 CG = 21.128(S), Expected = 26.77, Std = 1.2500, ChiSquare = 6.3736e-06