Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.35 A 0.13 HN Overlap>> 2.M4 2.M4 C Shift Assignments>> C :: 175.978 CA :: 55.483 CB :: 31.980 CE :: 16.993 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 :: 8.410 HA :: 4.537 HB2 :: 2.026 HB3 :: 2.125 HE1 :: 2.082 HE2 :: 2.082 HE3 :: 2.082 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.644 Ave N Shift Values>> N :: 120.09(3.57) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.127 CA :: 58.920 CB :: 63.746 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.513 HA :: 4.318 HB2 :: 3.786 HB3 :: 3.786 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 :: 117.571 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 M 0.22 Q 0.02 HN Overlap>> 2.E6 2.E6 C Shift Assignments>> C :: 175.142 CA :: 56.202 CB :: 31.681 CG :: 36.464 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 :: 8.473 HA :: 4.399 HB2 :: 1.908 HB3 :: 2.031 HG2 :: 2.227 HG3 :: 2.227 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.331 Ave N Shift Values>> N :: 120.67(3.48) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 174.858 CA :: 56.415 CB :: 40.840 CD1 :: 133.743 CE1 :: 118.008 CE2 :: 118.025 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 :: 8.175 HA :: 5.055 HB2 :: 3.021 HB3 :: 3.021 HD1 :: 7.067 HD2 :: 7.067 HE1 :: 6.433 HE2 :: 6.685 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 :: 118.416 Ave N Shift Values>> N :: 120.52(4.2) 1.I8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 175.098 CA :: 59.183 CB :: 40.656 CG1 :: 26.047 CG2 :: 17.166 CD1 :: 13.899 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 :: 8.815 HA :: 4.612 HB :: 1.455 HG12 :: 0.177 HG13 :: 0.841 HG21 :: -0.190(S) HG22 :: -0.190(S) HG23 :: -0.190(S) HD11 :: -0.492(S) HD12 :: -0.492(S) HD13 :: -0.492(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.981 Ave N Shift Values>> N :: 121.46(4.28) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 174.790 CA :: 56.266 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 :: 8.762 HA :: 4.792 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.747 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.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.07 C Shift Assignments>> C :: 173.729 CA :: 60.192 CB :: 35.373 CG1 :: 24.572 CG2 :: 22.900 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 :: 8.966 HA :: 5.456 HB :: 1.835 HG11 :: 0.590 HG12 :: 0.590 HG13 :: 0.590 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.105 Ave N Shift Values>> N :: 121.14(4.54) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.5 C 0.42 A 0.07 C Shift Assignments>> C :: 171.932 CA :: 58.136 CB :: 71.994 CG2 :: 20.743 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 :: 8.710 HA :: 5.082 HB :: 3.777 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.561 Ave N Shift Values>> N :: 115.42(4.75) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.4 M 0.1 I 0.03 K 0.01 Q 0.01 HN Overlap>> 1.Y80 1.Y80 C Shift Assignments>> C :: 175.821 CA :: 57.246 CB :: 30.852 CG :: 36.949 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 :: 8.736 HA :: 4.344 HB2 :: 2.144 HB3 :: 2.267 HG2 :: 2.454 HG3 :: 2.454 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 :: 122.102 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>> G 0.48 L 0.28 R 0.1 D 0.05 C 0.04 F 0.01 C Shift Assignments>> C :: 176.318 CA :: 53.665 CB :: 44.555 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 :: 7.979 HA :: 4.640 HB2 :: 2.687 HB3 :: 2.594 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 :: 119.363 Ave N Shift Values>> N :: 120.65(3.86) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.3 I 0.22 K 0.02 M 0.01 C Shift Assignments>> C :: 176.254 CA :: 59.658 CB :: 29.888 CG :: 37.112 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.265 HA :: 3.923 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.151 HG3 :: 2.151 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 :: 125.850 Ave N Shift Values>> N :: 120.67(3.48) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.22 F 0.11 Y 0.1 C 0.09 L 0.07 C Shift Assignments>> C :: 174.990 CA :: 54.079 CB :: 39.176 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.046 HA :: 4.740 HB2 :: 2.682 HB3 :: 2.863 HD21 :: 7.936 HD22 :: 6.935 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 :: 117.118 ND2 :: 115.201 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.28 K 0.11 R 0.08 N 0.06 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.E20 2.Y80 2.D16 1.E20 2.Y80 2.D16 C Shift Assignments>> C :: 175.759 CA :: 53.112 CB :: 42.156 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 :: 8.101 HA :: 4.860 HB2 :: 2.827 HB3 :: 2.768 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 :: 121.142 Ave N Shift Values>> N :: 120.65(3.86) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.14 Q 0.06 K 0.05 C Shift Assignments>> CA :: 54.426 CB :: 30.322 CG :: 36.190 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 :: 8.626 HA :: 4.513 HB2 :: 2.054 HB3 :: 2.054 HG2 :: 2.425 HG3 :: 2.425 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.304 Ave N Shift Values>> N :: 120.67(3.48) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 175.462 CA :: 62.480 CB :: 33.529 CG :: 27.220 CD :: 51.096 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 :: 4.751 HB2 :: 1.842 HB3 :: 1.987 HG2 :: 1.900 HG3 :: 2.021 HD2 :: 3.719 HD3 :: 4.087 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.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> CA :: 59.118 CB :: 40.103 CG1 :: 28.292 CG2 :: 16.935 CD1 :: 13.182 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.264 HA :: 4.497 HB :: 1.835 HG12 :: 1.286 HG13 :: 1.476 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.874 Ave N Shift Values>> N :: 121.46(4.28) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.11 N 0.1 M 0.08 A 0.08 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 HN Overlap>> 1.D16 1.D16 2.Y80 2.D16 2.Y80 2.D16 C Shift Assignments>> C :: 175.685 CA :: 54.586 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 :: 8.098 HA :: 4.809 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 :: 121.120 Ave N Shift Values>> N :: 120.67(3.48) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 C 0.31 I 0.09 C Shift Assignments>> CA :: 54.299 CB :: 38.004 CG1 :: 26.602 CG2 :: 17.470 CD1 :: 11.540 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 :: 9.779 HA :: 4.168 HB :: 1.956 HG12 :: 1.209 HG13 :: 1.209 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.200 Ave N Shift Values>> N :: 121.46(4.28) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.32 K 0.04 R 0.03 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.443 CA :: 62.539 CB :: 32.474 CG :: 28.002 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 :: 4.265 HB2 :: 1.803 HB3 :: 1.616 HG2 :: 1.572 HG3 :: 1.572 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.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.666 CA :: 56.623 CB :: 65.691 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.987 HA :: 4.575 HB2 :: 3.274 HB3 :: 4.022 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 :: 115.090 Ave N Shift Values>> N :: 116.28(3.52) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.3 M 0.19 C Shift Assignments>> C :: 178.921 CA :: 54.512 CB :: 31.363 CG :: 37.342 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.340 HA :: 4.161 HB2 :: 2.134 HB3 :: 2.224 HG2 :: 2.134 HG3 :: 2.134 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.441 Ave N Shift Values>> N :: 120.67(3.48) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.13 C 0.12 L 0.11 I 0.05 N 0.03 K 0.02 C Shift Assignments>> C :: 176.413 CA :: 57.041 CB :: 40.092 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 :: 8.971 HA :: 4.273 HB2 :: 2.653 HB3 :: 2.653 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.495 Ave N Shift Values>> N :: 120.65(3.86) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.33 L 0.12 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.746 CA :: 52.855 CB :: 40.210 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 :: 7.607 HA :: 4.541 HB2 :: 2.571 HB3 :: 3.087 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.350 Ave N Shift Values>> N :: 120.65(3.86) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.481 CA :: 45.779 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.168 HA2 :: 3.932 HA3 :: 4.415 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.005 Ave N Shift Values>> N :: 109.67(3.87) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.606 CA :: 61.897 CB :: 70.978 CG2 :: 21.754 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 :: 7.922 HA :: 4.769 HB :: 4.032 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.487 Ave N Shift Values>> N :: 115.42(4.75) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 175.356 CA :: 61.282 CB :: 35.543 CG1 :: 21.648 CG2 :: 21.388 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 :: 8.628 HA :: 4.357 HB :: 1.478 HG11 :: 0.103 HG12 :: 0.103 HG13 :: 0.103 HG21 :: 0.518 HG22 :: 0.518 HG23 :: 0.518 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 :: 117.629 Ave N Shift Values>> N :: 121.14(4.54) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.3 A 0.05 K 0.05 C Shift Assignments>> C :: 178.827 CA :: 54.959 CB :: 41.053 CG :: 26.828 CD1 :: 22.900 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 :: 8.605 HA :: 4.571 HB2 :: 1.829 HB3 :: 1.989 HG :: 1.592 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 HD21 :: 0.862 HD22 :: 0.862 HD23 :: 0.862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.888 Ave N Shift Values>> N :: 121.86(3.9) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.41 R 0.02 HN Overlap>> 2.L31 2.L31 C Shift Assignments>> C :: 178.610 CA :: 58.356 CB :: 41.199 CG :: 26.650 CD1 :: 26.054 CD2 :: 21.716 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 :: 8.788 HA :: 4.018 HB2 :: 1.129 HB3 :: 1.989 HG :: 1.765 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.578 Ave N Shift Values>> N :: 121.86(3.9) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.851 CA :: 60.766 CB :: 62.199 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.841 HA :: 4.381 HB2 :: 3.892 HB3 :: 3.991 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.712 Ave N Shift Values>> N :: 116.28(3.52) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 T 0.16 C Shift Assignments>> C :: 176.508 CA :: 66.411 CB :: 67.926 CG2 :: 24.923 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 :: 7.439 HA :: 4.097 HB :: 4.521 HG21 :: 1.417 HG22 :: 1.417 HG23 :: 1.417 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.885 Ave N Shift Values>> N :: 115.42(4.75) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.208 CA :: 67.152 CB :: 31.846 CG1 :: 23.142 CG2 :: 21.488 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 :: 7.486 HA :: 3.682 HB :: 2.555 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 121.599 Ave N Shift Values>> N :: 121.14(4.54) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 176.020 CA :: 64.371 CB :: 68.933 CG2 :: 23.351 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.634 HA :: 4.175 HB :: 4.600 HG21 :: 1.404 HG22 :: 1.404 HG23 :: 1.404 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.342 Ave N Shift Values>> N :: 115.42(4.75) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.18 C 0.03 L 0.01 C Shift Assignments>> C :: 177.990 CA :: 54.182 CB :: 19.484 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.221 HA :: 4.167 HB1 :: 1.737 HB2 :: 1.737 HB3 :: 1.737 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.578 Ave N Shift Values>> N :: 123.23(3.54) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 C 0.23 Q 0.19 M 0.14 R 0.1 C Shift Assignments>> C :: 174.681 CA :: 54.115 CB :: 29.101 CG :: 32.320 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 :: 6.986 HA :: 4.034 HB2 :: 1.701 HB3 :: 1.701 HG2 :: 1.915 HG3 :: 1.915 HE21 :: 7.717 HE22 :: 7.197 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 :: 110.198 NE2 :: 116.537 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.23 C 0.19 C Shift Assignments>> CA :: 54.874 CB :: 39.520 CD1 :: 132.954 CE1 :: 132.758 CE2 :: 130.801 CZ :: 129.498 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 :: 8.252 HA :: 4.934 HB2 :: 3.204 HB3 :: 3.204 HD1 :: 7.046 HD2 :: 7.046 HE1 :: 7.188 HE2 :: 7.124 HZ :: 7.345 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 :: 116.971 Ave N Shift Values>> N :: 120.45(4.18) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 178.367 CA :: 64.411 CB :: 31.005 CG :: 28.484 CD :: 49.992 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 :: 4.542 HB2 :: 2.030 HB3 :: 2.385 HG2 :: 1.986 HG3 :: 1.986 HD2 :: 2.977 HD3 :: 3.682 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.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.797 CA :: 44.841 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.899 HA2 :: 3.729 HA3 :: 4.513 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.626 Ave N Shift Values>> N :: 109.67(3.87) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.07 C 0.03 L 0.03 C Shift Assignments>> C :: 177.193 CA :: 53.230 CB :: 19.998 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.086 HA :: 4.167 HB1 :: 1.298 HB2 :: 1.298 HB3 :: 1.298 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.608 Ave N Shift Values>> N :: 123.23(3.54) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.13 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 173.833 CA :: 55.767 CB :: 30.247 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.084 HA :: 5.021 HB2 :: 3.347 HB3 :: 2.580 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.543 Ave N Shift Values>> N :: 120.17(4.64) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 170.674 CA :: 45.050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.441 HA2 :: 3.716 HA3 :: 4.403 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.481 Ave N Shift Values>> N :: 109.67(3.87) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 G 0.05 L 0.04 A 0.03 C Shift Assignments>> C :: 175.522 CA :: 53.635 CB :: 48.575(S) CG :: 26.911 CD1 :: 24.623 CD2 :: 26.615 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 :: 8.992 HA :: 5.357 HB2 :: 1.561 HB3 :: 1.638 HG :: 1.459 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.608 HD22 :: 0.608 HD23 :: 0.608 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 :: 118.237 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>> C 0.5 G 0.25 R 0.2 K 0.04 C Shift Assignments>> C :: 173.672 CA :: 54.351 CB :: 34.552 CG :: 26.712 CD :: 43.758 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.610 HA :: 5.689 HB2 :: 1.666 HB3 :: 1.783 HG2 :: 1.204 HG3 :: 1.273 HD2 :: 2.891 HD3 :: 3.069 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 :: 120.114 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.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.4 C Shift Assignments>> C :: 172.284 CA :: 56.145 CB :: 40.994 CD1 :: 134.275 CE1 :: 116.763 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.007 HA :: 4.887 HB2 :: 2.420 HB3 :: 3.046 HD1 :: 6.802 HD2 :: 6.802 HE1 :: 6.590 HE2 :: 6.590 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.723 Ave N Shift Values>> N :: 120.52(4.2) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.32 K 0.1 G 0.06 C Shift Assignments>> C :: 175.565 CA :: 54.953 CB :: 31.333 CG :: 27.510 CD :: 43.248 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 :: 8.916 HA :: 4.439 HB2 :: 1.757 HB3 :: 1.582 HG2 :: 1.239 HG3 :: 1.239 HD2 :: 3.049 HD3 :: 3.049 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 :: 121.218 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.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.19 C 0.07 L 0.04 F 0.03 Y 0.02 HN Overlap>> 1.Y76 1.Y76 C Shift Assignments>> CA :: 50.867 CB :: 39.344 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 :: 8.882 HA :: 4.992 HB2 :: 2.457 HB3 :: 3.213 HD21 :: 7.715 HD22 :: 7.398 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 :: 127.730 ND2 :: 114.227 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.614 CA :: 64.852 CB :: 32.237 CG :: 27.446 CD :: 51.114 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 :: 4.321 HB2 :: 2.065 HB3 :: 2.389 HG2 :: 2.124 HG3 :: 2.103 HD2 :: 3.884 HD3 :: 4.190 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 2.D26 2.D26 C Shift Assignments>> C :: 176.934 CA :: 64.141 CB :: 31.896 CG1 :: 21.146 CG2 :: 21.102 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 :: 7.652 HA :: 4.013 HB :: 2.261 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 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 :: 115.534 Ave N Shift Values>> N :: 121.14(4.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.32 M 0.19 C Shift Assignments>> C :: 176.008 CA :: 56.206 CB :: 31.800 CG :: 37.006 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 :: 7.768 HA :: 4.370 HB2 :: 1.899 HB3 :: 2.208 HG2 :: 2.236 HG3 :: 2.236 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.458 Ave N Shift Values>> N :: 120.67(3.48) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.29 R 0.16 K 0.13 E 0.03 I 0.01 M 0.01 HN Overlap>> 2.Q52 2.Q52 C Shift Assignments>> C :: 174.885 CA :: 56.586 CB :: 27.087 CG :: 33.864 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.338 HA :: 3.965 HB2 :: 2.192 HB3 :: 2.063 HG2 :: 2.227 HG3 :: 2.297 HE21 :: 7.525 HE22 :: 6.816 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.541 NE2 :: 112.725 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 Q 0.13 W 0.13 E 0.12 C 0.12 M 0.08 K 0.07 C Shift Assignments>> C :: 173.016 CA :: 55.629 CB :: 30.287 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.411 HA :: 4.762 HB2 :: 2.971 HB3 :: 2.859 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.178 Ave N Shift Values>> N :: 120.17(4.64) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.28 A 0.17 C Shift Assignments>> C :: 176.265 CA :: 54.315 CB :: 32.371 CG :: 32.352 CE :: 16.374 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 :: 8.596 HA :: 4.882 HB2 :: 2.609 HB3 :: 2.390 HG2 :: 1.669 HG3 :: 1.669 HE1 :: 1.866 HE2 :: 1.866 HE3 :: 1.866 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.445 Ave N Shift Values>> N :: 120.09(3.57) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.37 G 0.11 K 0.09 C Shift Assignments>> C :: 174.804 CA :: 53.660 CB :: 33.716 CG :: 26.949 CD :: 43.176 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 :: 8.976 HA :: 4.473 HB2 :: 0.919 HB3 :: 1.551 HG2 :: 1.516 HG3 :: 1.516 HD2 :: 3.277 HD3 :: 3.277 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.469 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.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.672 CA :: 44.694 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.492 HA2 :: 3.722 HA3 :: 4.708 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.343 Ave N Shift Values>> N :: 109.67(3.87) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.13 C Shift Assignments>> C :: 176.222 CA :: 62.301 CB :: 32.683 CG1 :: 24.974 CG2 :: 23.404 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 :: 8.314 HA :: 4.236 HB :: 2.031 HG11 :: 1.218 HG12 :: 1.218 HG13 :: 1.218 HG21 :: 1.243 HG22 :: 1.243 HG23 :: 1.243 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.325 Ave N Shift Values>> N :: 121.14(4.54) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.41 K 0.09 G 0.05 HN Overlap>> 2.R58 2.R58 C Shift Assignments>> C :: 173.322 CA :: 58.393 CB :: 30.938 CG :: 27.738 CD :: 43.281 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.421 HA :: 4.075 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 2.990 HD3 :: 3.078 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 :: 131.938 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.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 C 0.24 L 0.2 R 0.19 A 0.02 C Shift Assignments>> C :: 176.169 CA :: 53.650 CB :: 44.209 CG :: 27.875 CD1 :: 23.873 CD2 :: 27.305 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 :: 8.267 HA :: 5.338 HB2 :: 1.508 HB3 :: 1.964 HG :: 1.474 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 1.033 HD22 :: 1.033 HD23 :: 1.033 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.947 Ave N Shift Values>> N :: 121.86(3.9) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.008 CA :: 61.435 CB :: 34.870 CG1 :: 21.104 CG2 :: 20.449 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.256 HA :: 4.355 HB :: 2.089 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.775 Ave N Shift Values>> N :: 121.14(4.54) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.13 K 0.08 Q 0.05 R 0.01 C Shift Assignments>> C :: 176.037 CA :: 57.200 CB :: 27.797 CG :: 36.351 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.587 HA :: 3.904 HB2 :: 2.256 HB3 :: 2.041 HG2 :: 2.322 HG3 :: 2.322 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 :: 128.214 Ave N Shift Values>> N :: 120.67(3.48) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.267 CA :: 46.011 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.386 HA2 :: 3.614 HA3 :: 4.251 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.732 Ave N Shift Values>> N :: 109.67(3.87) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.580 CA :: 61.387 CB :: 38.751 CG1 :: 26.919 CG2 :: 18.016 CD1 :: 12.469 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 :: 8.202 HA :: 4.271 HB :: 2.207 HG12 :: 1.039 HG13 :: 1.557 HG21 :: 0.569 HG22 :: 0.569 HG23 :: 0.569 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 123.768 Ave N Shift Values>> N :: 121.46(4.28) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.29 K 0.09 R 0.06 G 0.01 C Shift Assignments>> C :: 175.742 CA :: 54.253 CB :: 42.028 CD1 :: 26.485 CD2 :: 26.090 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 :: 9.329 HA :: 5.234 HB2 :: 1.344 HB3 :: 2.246 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.643 HD22 :: 0.643 HD23 :: 0.643 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.861 Ave N Shift Values>> N :: 121.86(3.9) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 C 0.31 W 0.24 C Shift Assignments>> C :: 173.179 CA :: 54.494 CB :: 32.349 CD2 :: 118.526 CE1 :: 137.516 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 :: 8.528 HA :: 4.542 HB2 :: 2.669 HB3 :: 2.940 HD2 :: 7.006 HE1 :: 8.183 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 :: 121.064 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> CA :: 49.891 CB :: 15.963 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.468 HA :: 1.741(S) HB1 :: -0.003(S) HB2 :: -0.003(S) HB3 :: -0.003(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.609 Ave N Shift Values>> N :: 123.23(3.54) 1.P67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.6 C 0.38 C Shift Assignments>> C :: 176.308 CA :: 62.192 CB :: 32.288 CG :: 28.044 CD :: 50.919 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 :: 4.306 HB2 :: 2.357 HB3 :: 1.620 HG2 :: 1.804 HG3 :: 1.936 HD2 :: 2.416(S) HD3 :: 2.939 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.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 D 0.08 L 0.08 I 0.08 N 0.02 K 0.01 C Shift Assignments>> C :: 177.167 CA :: 57.657 CB :: 39.916 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 :: 8.507 HA :: 4.112 HB2 :: 2.540 HB3 :: 2.632 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.627 Ave N Shift Values>> N :: 120.65(3.86) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.14 C 0.01 C Shift Assignments>> C :: 177.518 CA :: 52.670 CB :: 18.757 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.062 HA :: 4.269 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.337 Ave N Shift Values>> N :: 123.23(3.54) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 HN Overlap>> 2.G70 2.G70 C Shift Assignments>> C :: 172.928 CA :: 43.247 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.927 HA2 :: 3.381 HA3 :: 4.391 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.039 Ave N Shift Values>> N :: 109.67(3.87) 1.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 180.432 CA :: 58.768 CB :: 31.081 CD1 :: 128.306 CE3 :: 120.454 CZ2 :: 114.473 CZ3 :: 121.289 CH2 :: 122.774 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.556 HA :: 4.549 HB2 :: 3.093 HB3 :: 3.284 HD1 :: 7.228 HE1 :: 10.203 HE3 :: 6.036 HZ2 :: 7.016 HZ3 :: 7.070 HH2 :: 6.340 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.832 NE1 :: 127.951 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.708 CA :: 45.921 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.604 HA2 :: 3.887 HA3 :: 3.887 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.511 Ave N Shift Values>> N :: 109.67(3.87) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.13 C 0.09 Y 0.04 F 0.04 L 0.02 HN Overlap>> 2.N73 2.N73 C Shift Assignments>> C :: 175.211 CA :: 52.100 CB :: 38.502 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 :: 8.776 HA :: 5.063 HB2 :: 2.774 HB3 :: 2.920 HD21 :: 7.561 HD22 :: 6.859 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.142 ND2 :: 111.612 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.29 R 0.08 A 0.04 C Shift Assignments>> C :: 174.559 CA :: 54.739 CB :: 41.843 CG :: 27.311 CD1 :: 23.155 CD2 :: 26.036 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 :: 6.919 HA :: 4.207 HB2 :: 1.156 HB3 :: 1.484 HG :: 1.708 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.875 Ave N Shift Values>> N :: 121.86(3.9) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.578 CA :: 62.360 CB :: 31.999 CG1 :: 21.732 CG2 :: 22.559 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 :: 7.890 HA :: 4.157 HB :: 1.862 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.514 Ave N Shift Values>> N :: 121.14(4.54) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 HN Overlap>> 1.N48 1.N48 C Shift Assignments>> C :: 174.465 CA :: 58.152 CB :: 40.689 CD1 :: 132.977 CE1 :: 118.513 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 :: 8.951 HA :: 4.692 HB2 :: 2.792 HB3 :: 3.012 HD1 :: 6.730 HD2 :: 6.730 HE1 :: 6.773 HE2 :: 6.773 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 :: 127.734 Ave N Shift Values>> N :: 120.52(4.2) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.45 M 0.01 C Shift Assignments>> C :: 176.943 CA :: 59.868 CB :: 33.731 CG1 :: 21.232 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.432 HA :: 4.875 HB :: 1.637 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.508 Ave N Shift Values>> N :: 121.14(4.54) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 2.V78 2.V78 C Shift Assignments>> C :: 174.777 CA :: 62.889 CB :: 32.647 CG1 :: 22.274 CG2 :: 20.475 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 :: 7.897 HA :: 3.959 HB :: 1.377 HG11 :: 0.168 HG12 :: 0.168 HG13 :: 0.168 HG21 :: 0.204 HG22 :: 0.204 HG23 :: 0.204 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.102 Ave N Shift Values>> N :: 121.14(4.54) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.32 L 0.09 C 0.06 F 0.03 Y 0.02 HN Overlap>> 2.N79 2.N79 C Shift Assignments>> C :: 173.359 CA :: 50.878 CB :: 40.403 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 :: 7.774 HA :: 4.870 HB2 :: 2.120 HB3 :: 2.469 HD21 :: 7.183 HD22 :: 6.317 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.422 ND2 :: 110.125 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> CA :: 56.328 CB :: 39.326 CD1 :: 132.977 CE1 :: 118.513 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 :: 8.727 HA :: 5.044 HB2 :: 2.539 HB3 :: 2.539 HD1 :: 6.730 HD2 :: 6.730 HE1 :: 6.773 HE2 :: 6.773 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.061 Ave N Shift Values>> N :: 120.52(4.2) 1.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.539 CA :: 64.043 CB :: 31.886 CG :: 27.732 CD :: 51.109 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 :: 4.438 HB2 :: 2.354 HB3 :: 2.036 HG2 :: 2.198 HG3 :: 1.993 HD2 :: 3.992 HD3 :: 3.992 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.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 C Shift Assignments>> C :: 175.305 CA :: 55.915 CB :: 33.299 CG :: 24.293 CD :: 29.008 CE :: 42.220 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 :: 8.209 HA :: 4.410 HB2 :: 1.853 HB3 :: 1.776 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.986 HE3 :: 2.986 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 :: 120.507 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.22 D 0.13 R 0.12 F 0.11 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.225 CB :: 42.160 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 :: 7.971 HA :: 4.365 HB2 :: 2.693 HB3 :: 2.590 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 :: 127.212 Ave N Shift Values>> N :: 120.65(3.86) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> C :: 175.673 CA :: 55.333 CB :: 32.749 CE :: 16.948 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 :: 8.458 HA :: 4.553 HB2 :: 2.009 HB3 :: 2.130 HE1 :: 2.090 HE2 :: 2.090 HE3 :: 2.090 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.639 Ave N Shift Values>> N :: 120.09(3.57) 2.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.463 CA :: 58.340 CB :: 63.709 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.147 HA :: 4.337 HB2 :: 3.849 HB3 :: 3.849 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 :: 116.136 Ave N Shift Values>> N :: 116.28(3.52) 2.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.34 M 0.2 Q 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> C :: 175.649 CA :: 56.248 CB :: 31.736 CG :: 36.781 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 :: 8.508 HA :: 4.437 HB2 :: 1.946 HB3 :: 2.133 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.384 Ave N Shift Values>> N :: 120.67(3.48) 2.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.33 G 0.08 K 0.07 C Shift Assignments>> C :: 175.044 CA :: 54.767 CB :: 32.002 CG :: 27.190 CD :: 43.374 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 :: 8.506 HA :: 4.711 HB2 :: 1.592 HB3 :: 1.592 HG2 :: 1.368 HG3 :: 1.368 HD2 :: 3.004 HD3 :: 3.004 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.497 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.I8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 2.W71 2.W71 C Shift Assignments>> C :: 175.005 CA :: 59.883 CB :: 39.900 CG1 :: 26.679 CG2 :: 17.724 CD1 :: 13.895 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.755 HA :: 4.361 HB :: 1.241 HG12 :: -0.125(S) HG13 :: 0.802 HG21 :: -0.091 HG22 :: -0.091 HG23 :: -0.091 HD11 :: -0.571(S) HD12 :: -0.571(S) HD13 :: -0.571(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.654 Ave N Shift Values>> N :: 121.46(4.28) 2.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.35 K 0.14 G 0.02 C Shift Assignments>> C :: 174.787 CA :: 55.812 CB :: 30.789 CG :: 27.177 CD :: 42.610 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 :: 8.805 HA :: 4.802 HB2 :: 2.318 HB3 :: 1.489 HG2 :: 1.197 HG3 :: 1.197 HD2 :: 2.926 HD3 :: 2.926 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 :: 125.329 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.14 C Shift Assignments>> C :: 173.947 CA :: 59.927 CB :: 35.284 CG1 :: 24.076 CG2 :: 22.464 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.003 HA :: 5.543 HB :: 1.768 HG11 :: 0.617 HG12 :: 0.617 HG13 :: 0.617 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.734 Ave N Shift Values>> N :: 121.14(4.54) 2.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 C 0.38 A 0.07 C Shift Assignments>> C :: 171.732 CA :: 58.017 CB :: 71.698 CG2 :: 20.778 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 :: 8.730 HA :: 5.073 HB :: 3.749 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.165 Ave N Shift Values>> N :: 115.42(4.75) 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.4 M 0.1 I 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.797 CA :: 57.075 CB :: 30.675 CG :: 36.851 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 :: 8.698 HA :: 4.374 HB2 :: 2.130 HB3 :: 2.264 HG2 :: 2.398 HG3 :: 2.398 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 :: 121.891 Ave N Shift Values>> N :: 120.67(3.48) 2.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.26 R 0.08 D 0.05 C 0.04 F 0.01 C Shift Assignments>> C :: 176.232 CA :: 53.565 CB :: 44.609 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 :: 7.954 HA :: 4.681 HB2 :: 2.577 HB3 :: 2.675 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 :: 119.607 Ave N Shift Values>> N :: 120.65(3.86) 2.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.26 I 0.23 M 0.01 K 0.01 C Shift Assignments>> C :: 176.124 CA :: 59.760 CB :: 30.062 CG :: 37.361 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.254 HA :: 3.844 HB2 :: 2.017 HB3 :: 2.017 HG2 :: 2.188 HG3 :: 2.188 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.525 Ave N Shift Values>> N :: 120.67(3.48) 2.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.23 F 0.11 Y 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 174.902 CA :: 54.067 CB :: 39.278 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.114 HA :: 4.736 HB2 :: 2.657 HB3 :: 2.852 HD21 :: 7.958 HD22 :: 6.956 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.679 ND2 :: 115.481 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.28 K 0.11 R 0.08 N 0.06 F 0.04 C 0.04 Y 0.03 G 0.01 HN Overlap>> 1.D16 1.E20 2.Y80 1.D16 1.E20 2.Y80 C Shift Assignments>> C :: 175.841 CA :: 52.985 CB :: 42.179 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 :: 8.056 HA :: 4.901 HB2 :: 2.789 HB3 :: 2.825 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 :: 121.124 Ave N Shift Values>> N :: 120.65(3.86) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.26 Q 0.17 K 0.14 M 0.09 C Shift Assignments>> CA :: 54.349 CB :: 29.719 CG :: 35.539 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 :: 8.634 HA :: 4.489 HB2 :: 1.996 HB3 :: 1.996 HG2 :: 2.415 HG3 :: 2.415 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.515 Ave N Shift Values>> N :: 120.67(3.48) 2.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.43 C Shift Assignments>> C :: 176.620 CA :: 62.483 CB :: 33.564 CG :: 27.313 CD :: 51.000 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 :: 4.739 HB2 :: 1.860 HB3 :: 2.005 HG2 :: 1.870 HG3 :: 1.978 HD2 :: 3.707 HD3 :: 4.032 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) 2.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.123 CA :: 59.707 CB :: 40.429 CG1 :: 27.103 CG2 :: 18.220 CD1 :: 14.216 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 :: 9.162 HA :: 4.548 HB :: 1.995 HG12 :: 1.377 HG13 :: 1.524 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 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 :: 118.484 Ave N Shift Values>> N :: 121.46(4.28) 2.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.32 M 0.22 C Shift Assignments>> C :: 176.502 CA :: 55.111 CB :: 31.632 CG :: 37.001 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 :: 8.299 HA :: 5.184 HB2 :: 1.925 HB3 :: 1.539 HG2 :: 1.885 HG3 :: 1.885 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 :: 120.403 Ave N Shift Values>> N :: 120.67(3.48) 2.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.43 A 0.08 C Shift Assignments>> CA :: 56.713 CB :: 39.771 CG1 :: 26.437 CG2 :: 16.808 CD1 :: 13.405 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 :: 9.167 HA :: 4.662 HB :: 1.668 HG12 :: 1.312 HG13 :: 1.151 HG21 :: 0.715 HG22 :: 0.715 HG23 :: 0.715 HD11 :: 0.672 HD12 :: 0.672 HD13 :: 0.672 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 :: 122.969 Ave N Shift Values>> N :: 121.46(4.28) 2.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.041 CA :: 62.544 CB :: 31.915 CG :: 27.406 CD :: 51.079 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 :: 4.028 HB2 :: 1.915 HB3 :: 1.590 HG2 :: 1.924 HG3 :: 1.924 HD2 :: 3.885 HD3 :: 3.687 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) 2.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.364 CA :: 57.046 CB :: 65.602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.114 HA :: 4.547 HB2 :: 3.397 HB3 :: 4.059 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 :: 114.931 Ave N Shift Values>> N :: 116.28(3.52) 2.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.17 Q 0.03 K 0.02 C Shift Assignments>> C :: 179.065 CA :: 55.220 CB :: 30.815 CG :: 36.461 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.319 HA :: 4.404 HB2 :: 2.173 HB3 :: 2.294 HG2 :: 2.178 HG3 :: 2.178 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 :: 118.626 Ave N Shift Values>> N :: 120.67(3.48) 2.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 L 0.11 C 0.11 I 0.05 K 0.03 N 0.02 HN Overlap>> 2.R55 2.R55 C Shift Assignments>> C :: 176.205 CA :: 57.204 CB :: 40.240 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 :: 9.116 HA :: 4.371 HB2 :: 2.709 HB3 :: 2.709 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.490 Ave N Shift Values>> N :: 120.65(3.86) 2.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.13 F 0.07 C 0.06 Y 0.05 K 0.01 HN Overlap>> 1.V50 1.V50 C Shift Assignments>> C :: 177.602 CA :: 52.927 CB :: 40.286 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 :: 7.653 HA :: 4.557 HB2 :: 2.600 HB3 :: 3.090 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.496 Ave N Shift Values>> N :: 120.65(3.86) 2.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.375 CA :: 45.829 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.245 HA2 :: 3.996 HA3 :: 4.368 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.864 Ave N Shift Values>> N :: 109.67(3.87) 2.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 172.824 CA :: 61.537 CB :: 71.287 CG2 :: 21.571 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 :: 7.915 HA :: 4.852 HB :: 3.970 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.335 Ave N Shift Values>> N :: 115.42(4.75) 2.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.883 CA :: 61.042 CB :: 35.491 CG1 :: 21.926 CG2 :: 20.840 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 :: 8.445 HA :: 4.450 HB :: 1.520 HG11 :: 0.300 HG12 :: 0.300 HG13 :: 0.300 HG21 :: 0.505 HG22 :: 0.505 HG23 :: 0.505 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 :: 117.114 Ave N Shift Values>> N :: 121.14(4.54) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.32 A 0.02 C Shift Assignments>> C :: 179.029 CA :: 55.335 CB :: 40.697 CG :: 27.288 CD1 :: 25.279 CD2 :: 23.276 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.566 HA :: 4.518 HB2 :: 1.746 HB3 :: 2.012 HG :: 1.655 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.814 Ave N Shift Values>> N :: 121.86(3.9) 2.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.39 R 0.01 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 178.631 CA :: 58.430 CB :: 41.035 CG :: 26.739 CD1 :: 26.132 CD2 :: 21.707 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 :: 8.715 HA :: 4.014 HB2 :: 1.104 HB3 :: 1.932 HG :: 1.702 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.525 Ave N Shift Values>> N :: 121.86(3.9) 2.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.776 CA :: 60.322 CB :: 61.924 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.722 HA :: 4.455 HB2 :: 3.788 HB3 :: 3.929 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.498 Ave N Shift Values>> N :: 116.28(3.52) 2.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.24 C Shift Assignments>> C :: 176.307 CA :: 65.437 CB :: 67.722 CG2 :: 23.519 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 :: 7.513 HA :: 4.015 HB :: 4.419 HG21 :: 1.308 HG22 :: 1.308 HG23 :: 1.308 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.762 Ave N Shift Values>> N :: 115.42(4.75) 2.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.940 CA :: 66.813 CB :: 31.792 CG1 :: 21.966 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 :: 7.300 HA :: 3.599 HB :: 2.492 HG11 :: 0.808 HG12 :: 0.808 HG13 :: 0.808 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 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 :: 121.346 Ave N Shift Values>> N :: 121.14(4.54) 2.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 176.404 CA :: 64.335 CB :: 68.917 CG2 :: 23.174 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.199 HA :: 4.281 HB :: 4.467 HG21 :: 1.393 HG22 :: 1.393 HG23 :: 1.393 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 :: 112.599 Ave N Shift Values>> N :: 115.42(4.75) 2.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 178.821 CA :: 54.577 CB :: 18.152 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.312 HA :: 4.093 HB1 :: 1.488 HB2 :: 1.488 HB3 :: 1.488 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.218 Ave N Shift Values>> N :: 123.23(3.54) 2.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.27 C 0.23 M 0.12 R 0.05 E 0.01 C Shift Assignments>> C :: 174.869 CA :: 55.348 CB :: 29.430 CG :: 32.897 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 :: 6.909 HA :: 4.128 HB2 :: 1.701 HB3 :: 1.701 HG2 :: 1.938 HG3 :: 1.938 HE21 :: 7.414 HE22 :: 6.775 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 :: 113.170 NE2 :: 113.123 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.F38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 F 0.47 C Shift Assignments>> CA :: 55.003 CB :: 38.936 CD1 :: 133.009 CD2 :: 132.976 CE1 :: 132.748 CE2 :: 130.774 CZ :: 128.990 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 :: 8.339 HA :: 4.976 HB2 :: 3.304 HB3 :: 3.304 HD1 :: 6.974 HD2 :: 7.024 HE1 :: 7.247 HE2 :: 7.118 HZ :: 7.241 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 :: 118.310 Ave N Shift Values>> N :: 120.45(4.18) 2.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 178.427 CA :: 64.575 CB :: 31.321 CG :: 27.676 CD :: 49.991 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 :: 4.519 HB2 :: 1.937 HB3 :: 2.315 HG2 :: 2.009 HG3 :: 2.009 HD2 :: 3.273 HD3 :: 3.696 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) 2.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.677 CA :: 44.846 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.681 HA2 :: 3.679 HA3 :: 4.432 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.126 Ave N Shift Values>> N :: 109.67(3.87) 2.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.07 C 0.04 L 0.04 C Shift Assignments>> C :: 177.498 CA :: 53.358 CB :: 20.135 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.095 HA :: 4.247 HB1 :: 1.259 HB2 :: 1.259 HB3 :: 1.259 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.782 Ave N Shift Values>> N :: 123.23(3.54) 2.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.12 E 0.12 C 0.12 Q 0.1 M 0.09 K 0.08 C Shift Assignments>> C :: 173.473 CA :: 56.283 CB :: 30.763 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.998 HA :: 4.947 HB2 :: 3.384 HB3 :: 2.529 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.183 Ave N Shift Values>> N :: 120.17(4.64) 2.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 170.318 CA :: 45.154 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.306 HA2 :: 3.798 HA3 :: 4.209 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.002 Ave N Shift Values>> N :: 109.67(3.87) 2.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 G 0.07 L 0.06 A 0.06 C Shift Assignments>> C :: 176.052 CA :: 53.417 CB :: 48.429 CG :: 27.278 CD1 :: 24.195 CD2 :: 26.100 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 :: 8.378 HA :: 5.487 HB2 :: 1.570 HB3 :: 1.632 HG :: 1.451 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.595 HD22 :: 0.595 HD23 :: 0.595 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 :: 116.135 Ave N Shift Values>> N :: 121.86(3.9) 2.R45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.22 G 0.15 R 0.13 C Shift Assignments>> C :: 172.856 CA :: 54.397 CB :: 33.825 CG :: 25.171 CD :: 43.486 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.448 HA :: 5.671 HB2 :: 1.497 HB3 :: 1.966 HG2 :: 1.363 HG3 :: 1.363 HD2 :: 2.909 HD3 :: 3.109 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 :: 120.334 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Y46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.48 C Shift Assignments>> C :: 172.580 CA :: 55.827 CB :: 40.891 CD1 :: 134.679 CE1 :: 116.685 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.177 HA :: 4.920 HB2 :: 2.462 HB3 :: 2.830 HD1 :: 6.804 HD2 :: 6.804 HE1 :: 6.601 HE2 :: 6.601 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 :: 116.926 Ave N Shift Values>> N :: 120.52(4.2) 2.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 K 0.32 C 0.13 R 0.07 Q 0.02 H 0.01 W 0.01 C Shift Assignments>> C :: 175.555 CA :: 55.617 CG :: 25.089 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.213 HA :: 4.172 HG2 :: 1.708 HG3 :: 1.708 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 :: 122.286 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.16 C 0.08 L 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 50.811 CB :: 39.045 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 :: 8.600 HA :: 4.890 HB2 :: 2.233 HB3 :: 3.343 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 :: 127.987 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 177.566 CA :: 64.621 CB :: 32.287 CG :: 27.481 CD :: 50.889 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 :: 4.308 HB2 :: 2.031 HB3 :: 2.358 HG2 :: 2.147 HG3 :: 2.126 HD2 :: 3.974 HD3 :: 4.259 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) 2.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.893 CA :: 64.786 CB :: 32.002 CG1 :: 21.739 CG2 :: 21.067 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 :: 7.913 HA :: 3.880 HB :: 2.055 HG11 :: 0.997 HG12 :: 0.997 HG13 :: 0.997 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.666 Ave N Shift Values>> N :: 121.14(4.54) 2.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.335 CA :: 58.069 CB :: 65.221 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.898 HA :: 4.421 HB2 :: 3.713 HB3 :: 4.058 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.017 Ave N Shift Values>> N :: 116.28(3.52) 2.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.29 Q 0.14 R 0.11 I 0.01 E 0.01 HN Overlap>> 1.Q52 1.Q52 C Shift Assignments>> C :: 174.941 CA :: 57.799 CB :: 26.031 CG :: 33.812 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 :: 8.381 HA :: 3.785 HB2 :: 2.392 HB3 :: 2.392 HG2 :: 2.151 HG3 :: 2.303 HE21 :: 7.301 HE22 :: 6.738 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.556 NE2 :: 112.847 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.14 K 0.14 E 0.12 Q 0.12 H 0.1 R 0.08 I 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 174.234 CA :: 58.363 CB :: 28.809 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.845 HA :: 4.598 HB2 :: 2.936 HB3 :: 2.679 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.650 Ave N Shift Values>> N :: 120.17(4.64) 2.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.34 A 0.13 C Shift Assignments>> C :: 175.199 CA :: 54.743 CB :: 32.299 CE :: 16.222 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 :: 9.027 HA :: 4.959 HB2 :: 2.508 HB3 :: 2.508 HE1 :: 1.809 HE2 :: 1.809 HE3 :: 1.809 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 :: 121.450 Ave N Shift Values>> N :: 120.09(3.57) 2.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.26 G 0.19 K 0.11 HN Overlap>> 2.D25 2.D25 C Shift Assignments>> C :: 175.422 CA :: 53.651 CB :: 33.525 CD :: 43.497 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.225 HA :: 5.104 HB2 :: 0.979 HB3 :: 1.040 HD2 :: 2.805 HD3 :: 2.805 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 :: 122.465 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.914 CA :: 45.119 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.930 HA2 :: 3.755 HA3 :: 3.576 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.394 Ave N Shift Values>> N :: 109.67(3.87) 2.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.42 C Shift Assignments>> C :: 177.423 CA :: 61.910 CB :: 33.212 CG1 :: 22.796 CG2 :: 23.943 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 :: 7.287 HA :: 4.376 HB :: 2.109 HG11 :: 1.330 HG12 :: 1.330 HG13 :: 1.330 HG21 :: 1.258 HG22 :: 1.258 HG23 :: 1.258 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.025 Ave N Shift Values>> N :: 121.14(4.54) 2.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.39 K 0.08 G 0.06 HN Overlap>> 1.R58 1.R58 C Shift Assignments>> C :: 173.360 CA :: 59.244 CB :: 31.514 CG :: 27.582 CD :: 43.329 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.459 HA :: 3.959 HB2 :: 1.738 HB3 :: 1.738 HG2 :: 1.374 HG3 :: 1.374 HD2 :: 3.007 HD3 :: 3.179 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 :: 131.897 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.22 L 0.1 R 0.04 A 0.01 C Shift Assignments>> C :: 174.453 CA :: 54.012 CB :: 45.117 CG :: 27.911 CD1 :: 24.144 CD2 :: 27.450 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.455 HA :: 5.188 HB2 :: 1.249 HB3 :: 1.800 HG :: 1.487 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 1.010 HD22 :: 1.010 HD23 :: 1.010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.127 Ave N Shift Values>> N :: 121.86(3.9) 2.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.856 CA :: 60.993 CB :: 34.036 CG1 :: 20.572 CG2 :: 20.091 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.141 HA :: 4.225 HB :: 2.058 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.761 HG22 :: 0.761 HG23 :: 0.761 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.208 Ave N Shift Values>> N :: 121.14(4.54) 2.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.14 K 0.07 Q 0.04 C Shift Assignments>> C :: 176.077 CA :: 57.205 CB :: 27.832 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 :: 9.597 HA :: 3.885 HB2 :: 2.261 HB3 :: 2.049 HG2 :: 2.348 HG3 :: 2.348 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.388 Ave N Shift Values>> N :: 120.67(3.48) 2.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.370 CA :: 45.960 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.268 HA2 :: 3.599 HA3 :: 4.215 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.421 Ave N Shift Values>> N :: 109.67(3.87) 2.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.015 CA :: 61.595 CB :: 38.781 CG1 :: 27.151 CG2 :: 18.101 CD1 :: 12.550 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 :: 8.253 HA :: 4.237 HB :: 2.230 HG12 :: 1.062 HG13 :: 1.585 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 123.514 Ave N Shift Values>> N :: 121.46(4.28) 2.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.29 K 0.09 R 0.06 G 0.01 C Shift Assignments>> C :: 175.995 CA :: 54.249 CB :: 42.039 CD1 :: 26.520 CD2 :: 26.095 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 :: 9.323 HA :: 5.302 HB2 :: 1.349 HB3 :: 2.314 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.660 HD22 :: 0.660 HD23 :: 0.660 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.228 Ave N Shift Values>> N :: 121.86(3.9) 2.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.38 W 0.18 C Shift Assignments>> C :: 172.947 CA :: 54.328 CB :: 32.969 CD2 :: 118.120 CE1 :: 137.627 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 :: 8.006 HA :: 4.678 HB2 :: 2.669 HB3 :: 2.953 HD2 :: 6.989 HE1 :: 8.271 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 :: 119.907 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.A66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> CA :: 49.944 CB :: 16.102 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.395 HA :: 1.922(S) HB1 :: -0.026(S) HB2 :: -0.026(S) HB3 :: -0.026(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.987 Ave N Shift Values>> N :: 123.23(3.54) 2.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.102 CA :: 62.327 CB :: 32.394 CG :: 28.200 CD :: 50.799 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 :: 4.375 HB2 :: 2.430 HB3 :: 1.749 HG2 :: 1.820 HG3 :: 2.010 HD2 :: 2.543 HD3 :: 2.970 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) 2.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.1 I 0.06 K 0.05 N 0.01 C Shift Assignments>> C :: 176.996 CA :: 57.568 CB :: 40.403 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 :: 8.380 HA :: 4.133 HB2 :: 2.612 HB3 :: 2.703 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 :: 121.383 Ave N Shift Values>> N :: 120.65(3.86) 2.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.01 C Shift Assignments>> C :: 177.501 CA :: 52.766 CB :: 18.715 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.113 HA :: 4.249 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.849 Ave N Shift Values>> N :: 123.23(3.54) 2.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 HN Overlap>> 1.G70 1.G70 C Shift Assignments>> C :: 172.819 CA :: 43.392 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.937 HA2 :: 3.364 HA3 :: 4.401 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.037 Ave N Shift Values>> N :: 109.67(3.87) 2.W71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 C 0.49 HN Overlap>> 2.I8 2.I8 C Shift Assignments>> C :: 180.487 CA :: 58.733 CB :: 30.539 CD1 :: 128.226 CE3 :: 120.279 CZ2 :: 114.282 CZ3 :: 121.507 CH2 :: 122.788 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.723 HA :: 4.495 HB2 :: 3.052 HB3 :: 3.253 HD1 :: 7.237 HE1 :: 10.073 HE3 :: 6.058 HZ2 :: 6.971 HZ3 :: 6.907 HH2 :: 6.362 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 :: 120.707 NE1 :: 127.872 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 173.912 CA :: 45.958 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.722 HA2 :: 3.888 HA3 :: 3.888 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.578 Ave N Shift Values>> N :: 109.67(3.87) 2.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.13 C 0.09 F 0.04 Y 0.04 L 0.03 HN Overlap>> 1.N73 1.N73 C Shift Assignments>> C :: 175.340 CA :: 52.087 CB :: 38.573 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 :: 8.805 HA :: 5.047 HB2 :: 2.764 HB3 :: 2.941 HD21 :: 7.569 HD22 :: 6.870 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.144 ND2 :: 111.780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.31 A 0.04 R 0.04 C Shift Assignments>> C :: 174.131 CA :: 54.865 CB :: 41.575 CG :: 27.302 CD1 :: 22.991 CD2 :: 25.699 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 :: 6.922 HA :: 4.155 HB2 :: 1.025 HB3 :: 1.463 HG :: 1.652 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 HD21 :: 0.721 HD22 :: 0.721 HD23 :: 0.721 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 :: 119.005 Ave N Shift Values>> N :: 121.86(3.9) 2.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.229 CA :: 62.482 CB :: 32.334 CG1 :: 21.812 CG2 :: 22.587 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 :: 7.791 HA :: 4.093 HB :: 1.841 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.792 HG22 :: 0.792 HG23 :: 0.792 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.046 Ave N Shift Values>> N :: 121.14(4.54) 2.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> C :: 174.228 CA :: 57.890 CB :: 40.212 CD1 :: 132.995 CE1 :: 118.559 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 :: 8.908 HA :: 4.714 HB2 :: 2.715 HB3 :: 2.975 HD1 :: 6.720 HD2 :: 6.720 HE1 :: 6.735 HE2 :: 6.735 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 :: 127.331 Ave N Shift Values>> N :: 120.52(4.2) 2.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.47 C Shift Assignments>> C :: 176.748 CA :: 60.067 CB :: 33.573 CG1 :: 21.262 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.642 HA :: 4.741 HB :: 1.664 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.513 Ave N Shift Values>> N :: 121.14(4.54) 2.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 174.369 CA :: 62.183 CB :: 32.792 CG1 :: 22.243 CG2 :: 20.463 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 :: 7.866 HA :: 4.078 HB :: 1.333 HG11 :: 0.158 HG12 :: 0.158 HG13 :: 0.158 HG21 :: 0.167 HG22 :: 0.167 HG23 :: 0.167 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.071 Ave N Shift Values>> N :: 121.14(4.54) 2.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.33 L 0.13 C 0.06 F 0.03 Y 0.02 K 0.02 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 172.816 CA :: 51.021 CB :: 40.847 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 :: 7.754 HA :: 4.890 HB2 :: 2.078 HB3 :: 2.322 HD21 :: 7.175 HD22 :: 6.263 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.313 ND2 :: 110.969 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 HN Overlap>> 1.D16 1.E20 1.D16 1.E20 2.D16 2.D16 C Shift Assignments>> CA :: 55.629 CB :: 40.593 CD1 :: 132.995 CE1 :: 118.559 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 :: 8.135 HA :: 5.139 HB2 :: 2.451 HB3 :: 2.451 HD1 :: 6.720 HD2 :: 6.720 HE1 :: 6.735 HE2 :: 6.735 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.145 Ave N Shift Values>> N :: 120.52(4.2) 2.P81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 176.536 CA :: 62.625 CB :: 31.921 CG :: 27.755 CD :: 50.835 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 :: 4.483 HB2 :: 2.356 HB3 :: 2.036 HG2 :: 2.221 HG3 :: 1.995 HD2 :: 3.983 HD3 :: 3.608 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) 2.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 175.746 CA :: 56.459 CB :: 33.233 CG :: 24.832 CD :: 29.043 CE :: 42.208 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 :: 8.700 HA :: 4.307 HB2 :: 1.890 HB3 :: 1.787 HG2 :: 1.481 HG3 :: 1.481 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 3.048 HE3 :: 3.048 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 :: 122.445 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.21 D 0.17 R 0.1 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> CA :: 55.619 CB :: 42.062 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 :: 7.921 HA :: 4.388 HB2 :: 2.736 HB3 :: 2.639 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.120 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 160 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 160 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 166 #Suspicious: 0 C Shift Results: #Consistent: 653 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1061 #Duplicate: 0 #Unknown: 0 #Suspicious: 19 #Anomalous: 0 N Shift Results: #Consistent: 161 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I8 HG21 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.I8 HG22 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.I8 HG23 = -0.190(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7718e-04 1.I8 HD11 = -0.492(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3138e-05 1.I8 HD12 = -0.492(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3138e-05 1.I8 HD13 = -0.492(S), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3138e-05 1.L44 CB = 48.575(S), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6086e-04 1.A66 HA = 1.741(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.0343e-08 1.A66 HB1 = -0.003(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9521e-07 1.A66 HB2 = -0.003(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9521e-07 1.A66 HB3 = -0.003(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.9521e-07 1.P67 HD2 = 2.416(S), Expected = 3.65, Std = 0.3500, ChiSquare = 4.2234e-04 2.I8 HG12 = -0.125(S), Expected = 1.28, Std = 0.4000, ChiSquare = 4.4391e-04 2.I8 HD11 = -0.571(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.6048e-05 2.I8 HD12 = -0.571(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.6048e-05 2.I8 HD13 = -0.571(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.6048e-05 2.A66 HA = 1.922(S), Expected = 4.26, Std = 0.4400, ChiSquare = 1.0746e-07 2.A66 HB1 = -0.026(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2078e-07 2.A66 HB2 = -0.026(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2078e-07 2.A66 HB3 = -0.026(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.2078e-07