Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.88 L 0.09 C Shift Assignments>> CA :: 45.426 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.014 HA3 :: 3.963 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.82 M 0.15 L 0.01 C Shift Assignments>> CA :: 53.634 CB :: 19.441 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.335 HB1 :: 1.428 HB2 :: 1.428 HB3 :: 1.428 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 C Shift Assignments>> CA :: 55.772 CB :: 32.968 CG :: 32.224 CE :: 17.036 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 :: 8.636 HA :: 4.499 HB2 :: 2.025 HB3 :: 2.102 HG2 :: 2.528 HG3 :: 2.590 HE1 :: 2.051 HE2 :: 2.051 HE3 :: 2.051 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 :: 120.791 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> CA :: 45.531 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.391 HA2 :: 4.028 HA3 :: 3.964 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.879 Ave N Shift Values>> N :: 109.67(3.87) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 F 0.09 Y 0.08 L 0.06 C Shift Assignments>> CA :: 53.419 CB :: 39.059 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 :: 7.954 HA :: 4.661 HB2 :: 2.750 HB3 :: 2.750 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 :: 124.309 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.29 I 0.17 E 0.07 D 0.02 N 0.02 L 0.02 M 0.01 C Shift Assignments>> CA :: 58.098 CB :: 38.252 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 :: 8.013 HA :: 4.463 HB2 :: 2.876 HB3 :: 2.991 HD1 :: 7.005 HD2 :: 7.005 HE1 :: 6.777 HE2 :: 6.777 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.088 Ave N Shift Values>> N :: 120.52(4.2) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 G 0.01 C Shift Assignments>> CA :: 56.835 CB :: 32.997 CG :: 24.685 CD :: 29.085 CE :: 42.160 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.845 HA :: 4.174 HB2 :: 1.662 HB3 :: 1.735 HG2 :: 1.294 HG3 :: 1.294 HD2 :: 1.591 HD3 :: 1.591 HE2 :: 2.940 HE3 :: 2.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.766 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.23 K 0.11 F 0.11 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> CA :: 54.660 CB :: 41.100 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 :: 8.043 HA :: 4.477 HB2 :: 2.808 HB3 :: 2.691 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 :: 119.739 Ave N Shift Values>> N :: 120.65(3.86) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.23 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> CA :: 53.255 CB :: 39.105 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 :: 8.174 HA :: 4.875 HB2 :: 2.848 HB3 :: 2.848 HD21 :: 6.934 HD22 :: 7.415 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.260 ND2 :: 111.593 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 H 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.866 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.299 HA :: 4.544 HB1 :: 1.533 HB2 :: 1.533 HB3 :: 1.533 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.869 Ave N Shift Values>> N :: 123.23(3.54) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 57.621 CB :: 41.631 CD1 :: 133.798 CD2 :: 133.798 CE1 :: 118.007 CE2 :: 118.007 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 :: 8.340 HA :: 5.220 HB2 :: 2.807 HB3 :: 3.047 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 6.610 HE2 :: 6.610 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 :: 117.351 Ave N Shift Values>> N :: 120.52(4.2) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.995 CB :: 40.418 CG2 :: 19.167 CD1 :: 14.747 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 :: 9.216 HA :: 5.052 HB :: 1.730 HG12 :: 1.375 HG13 :: 0.894 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 112.184 Ave N Shift Values>> N :: 121.46(4.28) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 56.688 CB :: 40.564 CD1 :: 133.355 CD2 :: 133.355 CE1 :: 117.757 CE2 :: 117.757 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 :: 9.086 HA :: 4.690 HB2 :: 2.717 HB3 :: 2.792 HD1 :: 6.734 HD2 :: 6.734 HE1 :: 6.316 HE2 :: 6.316 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 :: 123.504 Ave N Shift Values>> N :: 120.52(4.2) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.654 CB :: 40.260 CG1 :: 26.391 CG2 :: 19.182 CD1 :: 15.209 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 :: 8.448 HA :: 4.288 HB :: 1.259 HG12 :: 1.250 HG13 :: 1.166 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: -0.243 HD12 :: -0.243 HD13 :: -0.243 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 :: 127.611 Ave N Shift Values>> N :: 121.46(4.28) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 L 0.29 D 0.06 F 0.05 G 0.05 K 0.04 Y 0.03 I 0.01 C Shift Assignments>> CA :: 43.240 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.438 HA2 :: 3.634 HA3 :: 3.634 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.660 Ave N Shift Values>> N :: 109.67(3.87) 1.N17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.62 D 0.13 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.251 CB :: 38.259 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 :: 8.497 HA :: 4.439 HB2 :: 3.876(S) HB3 :: 2.473 HD21 :: 6.919 HD22 :: 8.485 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.980 ND2 :: 112.448 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.11 G 0.06 A 0.02 C Shift Assignments>> CA :: 54.073 CB :: 42.912 CG :: 26.447 CD1 :: 26.457 CD2 :: 23.831 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 :: 7.859 HA :: 4.068 HB2 :: 1.099 HB3 :: 1.212 HG :: 1.243 HD11 :: 0.402 HD12 :: 0.402 HD13 :: 0.402 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.182 Ave N Shift Values>> N :: 121.86(3.9) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.18 Y 0.12 F 0.12 L 0.05 E 0.01 M 0.01 C Shift Assignments>> CA :: 54.087 CB :: 38.703 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 :: 8.727 HA :: 4.464 HB2 :: 2.824 HB3 :: 2.720 HD21 :: 7.148 HD22 :: 8.071 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.392 ND2 :: 114.581 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 K 0.11 G 0.08 L 0.01 C Shift Assignments>> CA :: 58.719 CB :: 29.719 CG :: 27.708 CD :: 43.073 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 :: 8.940 HA :: 3.937 HB2 :: 2.056 HB3 :: 1.914 HG2 :: 1.618 HG3 :: 1.790 HD2 :: 3.184 HD3 :: 3.236 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.283 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.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.23 Q 0.19 R 0.1 H 0.09 W 0.07 V 0.03 HN Overlap>> 1.S51 1.S51 C Shift Assignments>> CA :: 56.778 CG :: 33.036 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 :: 8.867 HA :: 4.321 HB2 :: 1.472 HB3 :: 1.419 HG2 :: 1.781 HG3 :: 1.869 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 :: 117.166 Ave N Shift Values>> N :: 120.67(3.48) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 R 0.41 A 0.04 G 0.02 K 0.01 C Shift Assignments>> CA :: 55.505 CB :: 42.251 CG :: 27.539 CD1 :: 23.164 CD2 :: 27.187 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 :: 7.324 HA :: 4.540 HB2 :: 1.835 HB3 :: 1.334 HG :: 1.751 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.975 HD22 :: 0.975 HD23 :: 0.975 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 :: 119.643 Ave N Shift Values>> N :: 121.86(3.9) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.155 CB :: 73.000 CG2 :: 21.775 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 :: 9.483 HA :: 4.483 HB :: 4.547 HG21 :: 1.316 HG22 :: 1.316 HG23 :: 1.316 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.564 Ave N Shift Values>> N :: 115.42(4.75) 1.E24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.67 Y 0.17 F 0.13 C Shift Assignments>> CA :: 62.158 CG :: 38.240 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 :: 10.410(S) HA :: 3.604 HG2 :: 2.615 HG3 :: 2.101 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 :: 120.458 Ave N Shift Values>> N :: 120.67(3.48) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.219 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.402 HA2 :: 3.746 HA3 :: 3.969 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.261 Ave N Shift Values>> N :: 109.67(3.87) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.21 L 0.14 D 0.08 I 0.05 R 0.02 C Shift Assignments>> CA :: 58.005 CB :: 41.261 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 :: 7.539 HA :: 4.515 HB2 :: 2.693 HB3 :: 3.010 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 :: 122.820 Ave N Shift Values>> N :: 120.65(3.86) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.348 CB :: 37.789 CG1 :: 28.768 CG2 :: 18.429 CD1 :: 13.719 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.832 HA :: 3.609 HB :: 1.930 HG12 :: 1.622 HG13 :: 0.868 HG21 :: 0.521 HG22 :: 0.521 HG23 :: 0.521 HD11 :: 0.548 HD12 :: 0.548 HD13 :: 0.548 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 :: 118.686 Ave N Shift Values>> N :: 121.46(4.28) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.06 G 0.04 C Shift Assignments>> CA :: 59.040 CB :: 42.520 CG :: 27.086 CD1 :: 24.187 CD2 :: 24.774 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.731 HA :: 3.790 HB2 :: 1.385 HB3 :: 2.033 HG :: 1.673 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 119.737 Ave N Shift Values>> N :: 121.86(3.9) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.196 CB :: 69.194 CG2 :: 21.889 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 :: 8.251 HA :: 4.045 HB :: 4.462 HG21 :: 1.449 HG22 :: 1.449 HG23 :: 1.449 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.509 Ave N Shift Values>> N :: 115.42(4.75) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 65.727 CB :: 32.912 CG1 :: 21.731 CG2 :: 20.802 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 :: 7.627 HA :: 3.869 HB :: 2.181 HG11 :: 1.098 HG12 :: 1.098 HG13 :: 1.098 HG21 :: 0.542 HG22 :: 0.542 HG23 :: 0.542 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 :: 117.974 Ave N Shift Values>> N :: 121.14(4.54) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.42 C Shift Assignments>> CA :: 62.044 CB :: 37.217 CD2 :: 132.109 CE2 :: 130.536 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 :: 8.903 HA :: 3.908 HB2 :: 3.070 HB3 :: 2.911 HD2 :: 7.810 HE2 :: 6.992 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 :: 113.937 Ave N Shift Values>> N :: 120.45(4.18) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.282 CB :: 64.055 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.024 HA :: 5.405 HB2 :: 4.126 HB3 :: 4.077 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.854 Ave N Shift Values>> N :: 116.28(3.52) 1.E33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> V 0.21 K 0.17 Q 0.16 M 0.13 E 0.11 I 0.04 W 0.03 Y 0.03 R 0.03 H 0.02 F 0.01 C Shift Assignments>> CA :: 59.596 CG :: 34.440 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.935 HA :: 2.246(S) HG2 :: 0.519(A) HG3 :: 0.476(A) 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 :: 121.203 Ave N Shift Values>> N :: 120.67(3.48) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 57.226 CB :: 38.821 CD1 :: 132.101 CD2 :: 132.101 CE1 :: 117.902 CE2 :: 117.902 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.254 HA :: 4.953 HB2 :: 2.246 HB3 :: 3.433 HD1 :: 6.657 HD2 :: 6.657 HE1 :: 6.527 HE2 :: 6.527 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 :: 108.039 Ave N Shift Values>> N :: 120.52(4.2) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.23 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.594 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.247 HA2 :: 3.710 HA3 :: 4.184 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.601 Ave N Shift Values>> N :: 109.67(3.87) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 59.942 CB :: 33.989 CG1 :: 20.982 CG2 :: 21.138 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 :: 8.549 HA :: 4.537 HB :: 2.103 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 120.482 Ave N Shift Values>> N :: 121.14(4.54) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.98 S 0.01 C Shift Assignments>> CA :: 62.043 CB :: 31.531 CG :: 28.467 CD :: 52.144 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 :: 4.543 HB2 :: 1.655 HB3 :: 1.611 HG2 :: 1.448 HG3 :: 1.949 HD2 :: 3.684 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.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.064 CB :: 32.842 CG1 :: 18.852 CG2 :: 21.392 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 :: 9.099 HA :: 4.439 HB :: 2.150 HG11 :: 0.578 HG12 :: 0.578 HG13 :: 0.578 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 118.566 Ave N Shift Values>> N :: 121.14(4.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.35 R 0.17 D 0.06 F 0.03 Y 0.01 C Shift Assignments>> CA :: 54.860 CB :: 44.441 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 :: 7.300 HA :: 4.920 HB2 :: 2.428 HB3 :: 2.650 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.912 Ave N Shift Values>> N :: 120.65(3.86) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 61.259 CB :: 34.464 CG1 :: 21.575 CG2 :: 20.106 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 :: 8.052 HA :: 4.759 HB :: 1.918 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.771 HG22 :: 0.771 HG23 :: 0.771 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 :: 123.365 Ave N Shift Values>> N :: 121.14(4.54) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.204 CB :: 41.220 CG1 :: 27.714 CG2 :: 17.958 CD1 :: 14.964 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 :: 9.031 HA :: 4.361 HB :: 1.839 HG12 :: 1.111 HG13 :: 1.436 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 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 :: 127.951 Ave N Shift Values>> N :: 121.46(4.28) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.34 R 0.06 A 0.02 C Shift Assignments>> CA :: 53.832 CB :: 44.353 CG :: 27.318 CD1 :: 25.880 CD2 :: 23.623 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 :: 8.935 HA :: 4.415 HB2 :: 0.879 HB3 :: 1.897 HG :: 1.307 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 HD21 :: 0.659 HD22 :: 0.659 HD23 :: 0.659 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.034 Ave N Shift Values>> N :: 121.86(3.9) 1.S43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E100 1.E100 C Shift Assignments>> CA :: 59.298 CB :: 62.879 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.088 HA :: 4.092 HB2 :: 2.838(S) HB3 :: 2.727(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.977 Ave N Shift Values>> N :: 116.28(3.52) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.38 G 0.17 C Shift Assignments>> CA :: 54.363 CB :: 34.095 CG :: 28.285 CD :: 43.251 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 :: 8.081 HA :: 4.906 HB2 :: 1.233 HB3 :: 1.416 HG2 :: 1.526 HG3 :: 1.215 HD2 :: 3.151 HD3 :: 3.076 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 :: 125.852 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.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.29 D 0.14 K 0.05 G 0.05 F 0.05 Y 0.03 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> CA :: 54.728 CB :: 43.318 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 :: 8.594 HA :: 4.425 HB2 :: 2.585 HB3 :: 3.007 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.150 Ave N Shift Values>> N :: 120.65(3.86) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.17 K 0.1 Q 0.06 M 0.05 C Shift Assignments>> CA :: 59.018 CB :: 29.870 CG :: 36.215 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 :: 9.250 HA :: 4.048 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.334 HG3 :: 2.334 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.786 Ave N Shift Values>> N :: 120.67(3.48) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 F 0.19 Y 0.17 N 0.16 L 0.15 I 0.01 K 0.01 C Shift Assignments>> CA :: 55.321 CB :: 39.927 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 :: 8.857 HA :: 4.825 HB2 :: 3.010 HB3 :: 2.836 HD21 :: 7.034 HD22 :: 7.911 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 :: 116.105 ND2 :: 114.886 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.883 CB :: 71.194 CG2 :: 21.193 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 :: 8.539 HA :: 4.461 HB :: 4.427 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.395 Ave N Shift Values>> N :: 115.42(4.75) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> CA :: 45.706 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.293 HA2 :: 3.766 HA3 :: 4.198 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.910 Ave N Shift Values>> N :: 109.67(3.87) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.25 Q 0.06 K 0.03 I 0.02 C Shift Assignments>> CA :: 56.540 CB :: 30.948 CG :: 36.362 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.854 HA :: 4.162 HB2 :: 1.874 HB3 :: 2.023 HG2 :: 2.301 HG3 :: 2.301 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 :: 120.328 Ave N Shift Values>> N :: 120.67(3.48) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> CA :: 58.361 CB :: 64.438 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.950 HA :: 4.391 HB2 :: 4.011 HB3 :: 4.051 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 :: 117.235 Ave N Shift Values>> N :: 116.28(3.52) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 E 0.27 K 0.25 M 0.1 R 0.01 C Shift Assignments>> CA :: 55.406 CB :: 29.624 CG :: 34.837 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 :: 8.929 HA :: 4.516 HB2 :: 2.426 HB3 :: 1.502 HG2 :: 2.280 HG3 :: 2.231 HE21 :: 6.967 HE22 :: 7.434 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.996 NE2 :: 112.255 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.434 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.876 HA2 :: 4.189 HA3 :: 3.549 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.139 Ave N Shift Values>> N :: 109.67(3.87) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 F 0.41 C Shift Assignments>> CA :: 55.464 CB :: 41.207 CD1 :: 132.676 CD2 :: 132.676 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.938 HA :: 5.436 HB2 :: 2.666 HB3 :: 3.119 HD1 :: 6.795 HD2 :: 6.795 HE1 :: 7.366 HE2 :: 7.366 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 112.294 Ave N Shift Values>> N :: 120.45(4.18) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.79 L 0.13 K 0.02 G 0.01 R 0.01 C Shift Assignments>> CA :: 49.517 CB :: 24.966 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.098 HA :: 5.051 HB1 :: 0.940 HB2 :: 0.940 HB3 :: 0.940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.935 Ave N Shift Values>> N :: 123.23(3.54) 1.Y56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 F 0.35 G 0.02 C Shift Assignments>> CA :: 56.128 CB :: 42.405 CD1 :: 132.897 CD2 :: 132.897 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 :: 8.572 HA :: 5.652 HB2 :: 2.353 HB3 :: 2.771 HD1 :: 6.800 HD2 :: 6.800 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 :: 114.799 Ave N Shift Values>> N :: 120.52(4.2) 1.L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.98 A 0.01 HN Overlap>> 1.D45 1.D45 C Shift Assignments>> CA :: 54.552 CG :: 26.433 CD1 :: 27.295 CD2 :: 24.513 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 :: 8.600 HA :: 5.100 HG :: 1.347 HD11 :: 0.209 HD12 :: 0.209 HD13 :: 0.209 HD21 :: -0.334(S) HD22 :: -0.334(S) HD23 :: -0.334(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.129 Ave N Shift Values>> N :: 121.86(3.9) 1.K58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.54 R 0.41 G 0.03 C Shift Assignments>> CA :: 54.518 CB :: 36.254 CG :: 25.126 CD :: 29.673 CE :: 42.255 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 :: 8.389 HA :: 4.553 HB2 :: 0.223(S) HB3 :: 0.935 HG2 :: 0.925 HG3 :: 0.925 HD2 :: 1.140 HD3 :: 1.373 HE2 :: 2.741 HE3 :: 2.741 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.556 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.13 F 0.12 S 0.11 W 0.11 E 0.08 K 0.07 R 0.07 H 0.06 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.271 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 :: 9.035 HA :: 5.061 HB2 :: 3.159 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 :: 126.761 Ave N Shift Values>> N :: 120.52(4.2) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.16 I 0.11 Q 0.02 K 0.02 C Shift Assignments>> CA :: 59.244 CB :: 31.145 CG :: 36.608 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 :: 8.796 HA :: 3.890 HB2 :: 2.122 HB3 :: 2.038 HG2 :: 2.228 HG3 :: 2.228 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 :: 120.097 Ave N Shift Values>> N :: 120.67(3.48) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.24 D 0.21 R 0.15 N 0.03 K 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.550 CB :: 43.258 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 :: 8.006 HA :: 4.842 HB2 :: 2.420 HB3 :: 2.995 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.697 Ave N Shift Values>> N :: 120.65(3.86) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 R 0.17 E 0.04 M 0.02 I 0.02 C Shift Assignments>> CA :: 58.637 CB :: 27.994 CG :: 33.454 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.053 HA :: 4.223 HB2 :: 2.105 HB3 :: 2.195 HG2 :: 2.495 HG3 :: 2.430 HE21 :: 6.648 HE22 :: 7.410 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 :: 126.321 NE2 :: 110.754 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.15 Y 0.12 F 0.12 W 0.1 E 0.07 K 0.06 R 0.05 I 0.05 H 0.04 Q 0.04 V 0.03 T 0.03 M 0.03 L 0.02 C Shift Assignments>> CA :: 58.971 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 :: 8.960 HA :: 3.654 HB2 :: 0.576(S) 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 :: 121.086 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.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.31 V 0.25 T 0.21 I 0.16 F 0.01 Y 0.01 C Shift Assignments>> CA :: 63.589 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.143 HA :: 3.704 HB2 :: 3.160 HB3 :: 3.160 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 :: 114.891 Ave N Shift Values>> N :: 116.28(3.52) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N71 1.N71 C Shift Assignments>> CA :: 66.198 CB :: 68.461 CG2 :: 23.587 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 :: 7.633 HA :: 3.765 HB :: 4.185 HG21 :: 1.574 HG22 :: 1.574 HG23 :: 1.574 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 :: 111.019 Ave N Shift Values>> N :: 115.42(4.75) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.506 CB :: 38.668 CG1 :: 28.712 CG2 :: 17.026 CD1 :: 13.712 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.648 HA :: 3.673 HB :: 2.197 HG12 :: 1.655 HG13 :: 1.158 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 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 :: 123.242 Ave N Shift Values>> N :: 121.46(4.28) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 K 0.24 R 0.01 C Shift Assignments>> CA :: 57.678 CB :: 41.866 CD1 :: 26.425 CD2 :: 24.694 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 :: 6.899 HA :: 3.627 HB2 :: 1.135 HB3 :: 2.200 HG :: 1.967 HD11 :: 1.142 HD12 :: 1.142 HD13 :: 1.142 HD21 :: 0.898 HD22 :: 0.898 HD23 :: 0.898 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.375 Ave N Shift Values>> N :: 121.86(3.9) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.38 I 0.03 V 0.03 L 0.02 C Shift Assignments>> CA :: 55.643 CB :: 19.395 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.201 HA :: 3.406 HB1 :: 1.744 HB2 :: 1.744 HB3 :: 1.744 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.327 Ave N Shift Values>> N :: 123.23(3.54) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.039 CB :: 31.896 CG1 :: 21.191 CG2 :: 23.006 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 :: 8.235 HA :: 3.221 HB :: 1.901 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.396 HG22 :: 0.396 HG23 :: 0.396 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 :: 118.977 Ave N Shift Values>> N :: 121.14(4.54) 1.D70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.36 F 0.33 I 0.11 D 0.07 L 0.05 N 0.03 E 0.01 C Shift Assignments>> CA :: 57.576 CB :: 39.037 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 :: 8.152 HA :: 3.941 HB2 :: 0.987(S) HB3 :: 1.925 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.894 Ave N Shift Values>> N :: 120.65(3.86) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.18 R 0.11 F 0.1 Y 0.07 N 0.01 HN Overlap>> 1.T65 1.T65 C Shift Assignments>> CA :: 55.710 CB :: 42.091 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 :: 7.562 HA :: 5.009 HB2 :: 2.465 HB3 :: 2.267 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 :: 110.936 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.2 A 0.06 G 0.03 C Shift Assignments>> CA :: 54.411 CB :: 42.477 CG :: 27.226 CD1 :: 23.079 CD2 :: 26.170 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 :: 8.406 HA :: 4.686 HB2 :: 1.884 HB3 :: 1.224 HG :: 1.022 HD11 :: 0.198 HD12 :: 0.198 HD13 :: 0.198 HD21 :: 0.009 HD22 :: 0.009 HD23 :: 0.009 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 :: 116.460 Ave N Shift Values>> N :: 121.86(3.9) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 D 0.14 L 0.09 N 0.07 I 0.06 C Shift Assignments>> CA :: 56.716 CB :: 39.452 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.956 HA :: 4.419 HB2 :: 3.069 HB3 :: 2.892 HD21 :: 8.105 HD22 :: 7.365 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.618 ND2 :: 116.093 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> CA :: 45.912 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.379 HA2 :: 3.664 HA3 :: 4.449 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.095 Ave N Shift Values>> N :: 109.67(3.87) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 58.979 CB :: 41.709 CD1 :: 131.744 CD2 :: 131.744 CE1 :: 131.795 CE2 :: 131.795 CZ :: 129.591 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 :: 8.211 HA :: 4.311 HB2 :: 2.719 HB3 :: 3.259 HD1 :: 6.858 HD2 :: 6.858 HE1 :: 7.348 HE2 :: 7.348 HZ :: 7.436 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.354 Ave N Shift Values>> N :: 120.45(4.18) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.69 R 0.29 C Shift Assignments>> CA :: 56.529 CB :: 33.073 CG :: 25.665 CD :: 29.507 CE :: 41.987 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.648 HA :: 4.598 HB2 :: 1.466 HB3 :: 1.180 HG2 :: 1.338 HG3 :: 0.846 HD2 :: 1.560 HD3 :: 1.481 HE2 :: 2.885 HE3 :: 2.885 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 :: 127.267 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 60.214 CB :: 40.048 CG1 :: 27.166 CG2 :: 17.073 CD1 :: 13.741 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 :: 8.100 HA :: 4.406 HB :: 1.938 HG12 :: 1.366 HG13 :: 1.771 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 HD11 :: 1.044 HD12 :: 1.044 HD13 :: 1.044 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.576 Ave N Shift Values>> N :: 121.46(4.28) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.92 L 0.05 A 0.01 C Shift Assignments>> CA :: 47.118 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.171 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.602 HA3 :: 4.205 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.25 G 0.13 C Shift Assignments>> CA :: 54.849 CB :: 33.411 CG :: 27.503 CD :: 43.258 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.379 HA :: 4.650 HB2 :: 2.006 HB3 :: 1.832 HG2 :: 1.590 HG3 :: 1.590 HD2 :: 2.947 HD3 :: 3.092 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.377 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.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.06 C Shift Assignments>> CA :: 51.454 CB :: 19.131 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.734 HA :: 4.137 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.782 Ave N Shift Values>> N :: 123.23(3.54) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 R 0.25 G 0.09 C Shift Assignments>> CA :: 56.196 CB :: 43.362 CG :: 27.051 CD1 :: 26.481 CD2 :: 23.834 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 :: 8.736 HA :: 4.390 HB2 :: 1.313 HB3 :: 2.507 HG :: 2.300 HD11 :: 1.136 HD12 :: 1.136 HD13 :: 1.136 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 125.769 Ave N Shift Values>> N :: 121.86(3.9) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.22 G 0.03 C Shift Assignments>> CA :: 54.790 CB :: 34.212 CG :: 24.965 CD :: 29.205 CE :: 42.503 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.838 HA :: 5.005 HB2 :: 1.707 HB3 :: 1.766 HG2 :: 1.478 HG3 :: 1.478 HD2 :: 1.788 HD3 :: 1.788 HE2 :: 3.021 HE3 :: 3.021 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.851 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.08 C Shift Assignments>> CA :: 58.513 CB :: 40.310 CG1 :: 27.805 CG2 :: 20.041 CD1 :: 15.531 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 :: 8.727 HA :: 5.576 HB :: 1.733 HG12 :: 1.519 HG13 :: 1.248 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 HD11 :: 1.036 HD12 :: 1.036 HD13 :: 1.036 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.629 Ave N Shift Values>> N :: 121.46(4.28) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> CA :: 52.697 CB :: 45.574 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 :: 8.960 HA :: 5.094 HB2 :: 2.474 HB3 :: 2.798 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.427 Ave N Shift Values>> N :: 120.65(3.86) 1.H86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 C Shift Assignments>> CA :: 58.158 CB :: 31.368 CD2 :: 121.355 CE1 :: 137.945 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 :: 8.783 HA :: 4.635 HB2 :: 2.885 HB3 :: 3.155 HD2 :: 7.123 HE1 :: 7.420 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 :: 121.356 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.890 CB :: 70.215 CG2 :: 20.780 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 :: 8.032 HA :: 4.691 HB :: 4.108 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.331 Ave N Shift Values>> N :: 115.42(4.75) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 Y 0.48 C Shift Assignments>> CA :: 58.926 CB :: 39.673 CD1 :: 131.817 CD2 :: 131.817 CE1 :: 131.612 CE2 :: 131.612 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 :: 8.233 HA :: 4.305 HB2 :: 3.172 HB3 :: 2.944 HD1 :: 7.235 HD2 :: 7.235 HE1 :: 7.312 HE2 :: 7.312 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 :: 118.673 Ave N Shift Values>> N :: 120.45(4.18) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.510 CB :: 39.993 CD1 :: 132.391 CD2 :: 132.391 CE1 :: 117.613 CE2 :: 117.613 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 :: 8.246 HA :: 4.193 HB2 :: 2.186 HB3 :: 2.535 HD1 :: 6.174 HD2 :: 6.174 HE1 :: 6.312 HE2 :: 6.312 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 :: 124.182 Ave N Shift Values>> N :: 120.52(4.2) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.27 K 0.03 C Shift Assignments>> CA :: 52.511 CB :: 31.298 CG :: 26.827 CD :: 43.517 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.223 HA :: 4.219 HB2 :: 1.439 HB3 :: 1.575 HG2 :: 1.459 HG3 :: 1.459 HD2 :: 3.095 HD3 :: 3.095 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 :: 125.111 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.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.759 CB :: 32.074 CG :: 27.089 CD :: 50.347 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 :: 2.009 HB3 :: 1.717 HG2 :: 1.638 HG3 :: 1.724 HD2 :: 2.905 HD3 :: 3.166 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.K92 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.273 CB :: 63.656 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.466 HB2 :: 3.873 HB3 :: 3.873 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.88 R 0.07 G 0.02 A 0.02 C Shift Assignments>> CA :: 55.482 CB :: 42.350 CG :: 27.155 CD1 :: 23.539 CD2 :: 25.012 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>> HA :: 4.369 HB2 :: 1.633 HB3 :: 1.675 HG :: 1.626 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 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) 1.Q96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.99 C Shift Assignments>> CA :: 56.923 CB :: 32.936 CG :: 24.500 CD :: 28.989 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>> HA :: 4.197 HB2 :: 1.637 HB3 :: 1.637 HG2 :: 1.238 HG3 :: 1.238 HD2 :: 1.623 HD3 :: 1.623 HE2 :: 2.949 HE3 :: 2.949 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.249 CB :: 38.659 CD1 :: 133.224 CD2 :: 133.224 CE1 :: 118.294 CE2 :: 118.294 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.979 HA :: 4.477 HB2 :: 2.939 HB3 :: 2.989 HD1 :: 7.015 HD2 :: 7.015 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.486 Ave N Shift Values>> N :: 120.52(4.2) 1.Y99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 58.281 CB :: 38.902 CD1 :: 133.250 CD2 :: 133.250 CE1 :: 117.703 CE2 :: 117.703 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.918 HA :: 4.455 HB2 :: 2.998 HB3 :: 2.928 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.831 HE2 :: 6.831 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.784 Ave N Shift Values>> N :: 120.52(4.2) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 K 0.1 Q 0.1 H 0.1 E 0.08 M 0.08 W 0.08 F 0.06 L 0.06 Y 0.06 S 0.03 D 0.03 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> CA :: 56.766 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 :: 8.055 HA :: 4.171 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 :: 122.033 Ave N Shift Values>> N :: 120.67(3.48) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 52.795 CB :: 19.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.040 HA :: 4.283 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.629 Ave N Shift Values>> N :: 123.23(3.54) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.675 CB :: 32.610 CG1 :: 20.862 CG2 :: 21.300 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 :: 7.960 HA :: 4.039 HB :: 2.065 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.031 Ave N Shift Values>> N :: 121.14(4.54) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.24 G 0.01 C Shift Assignments>> CA :: 56.797 CB :: 33.012 CG :: 24.512 CD :: 28.961 CE :: 42.341 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 :: 8.207 HA :: 4.258 HB2 :: 1.815 HB3 :: 1.755 HG2 :: 1.418 HG3 :: 1.418 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 3.006 HE3 :: 3.006 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.562 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.14 K 0.07 I 0.06 Q 0.05 C Shift Assignments>> CA :: 57.034 CB :: 30.351 CG :: 36.500 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 :: 8.325 HA :: 4.263 HB2 :: 1.947 HB3 :: 2.049 HG2 :: 2.262 HG3 :: 2.262 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 :: 121.722 Ave N Shift Values>> N :: 120.67(3.48) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.15 K 0.07 Q 0.06 I 0.05 C Shift Assignments>> CA :: 56.802 CB :: 30.351 CG :: 36.500 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 :: 8.288 HA :: 4.264 HB2 :: 1.946 HB3 :: 2.049 HG2 :: 2.262 HG3 :: 2.262 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 :: 121.479 Ave N Shift Values>> N :: 120.67(3.48) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.09 G 0.03 A 0.01 C Shift Assignments>> CA :: 55.545 CB :: 42.538 CG :: 27.041 CD1 :: 25.174 CD2 :: 23.590 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 :: 8.154 HA :: 4.316 HB2 :: 1.664 HB3 :: 1.578 HG :: 1.650 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.549 Ave N Shift Values>> N :: 121.86(3.9) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 F 0.11 N 0.09 Y 0.08 R 0.01 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> CA :: 54.715 CB :: 41.125 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 :: 8.273 HA :: 4.587 HB2 :: 2.637 HB3 :: 2.745 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.656 Ave N Shift Values>> N :: 120.65(3.86) 1.R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.12 K 0.11 C Shift Assignments>> CA :: 56.778 CB :: 30.835 CG :: 27.467 CD :: 43.461 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 :: 8.041 HA :: 4.272 HB2 :: 1.875 HB3 :: 1.798 HG2 :: 1.629 HG3 :: 1.669 HD2 :: 3.205 HD3 :: 3.204 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 :: 120.710 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.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.12 M 0.1 N 0.08 H 0.08 Q 0.07 R 0.07 A 0.06 K 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> CA :: 54.862 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 :: 8.331 HB2 :: 2.636 HB3 :: 2.705 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.647 Ave N Shift Values>> N :: 120.65(3.86) 1.I110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 61.760 CB :: 38.643 CG1 :: 27.536 CG2 :: 17.670 CD1 :: 13.034 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.910 HA :: 4.140 HB :: 1.927 HG12 :: 1.204 HG13 :: 1.473 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.879 HD12 :: 0.879 HD13 :: 0.879 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 :: 120.220 Ave N Shift Values>> N :: 121.46(4.28) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 62.982 CB :: 32.438 CG1 :: 21.194 CG2 :: 21.104 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 :: 8.018 HA :: 4.095 HB :: 2.111 HG11 :: 0.960 HG12 :: 0.960 HG13 :: 0.960 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 122.698 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.581 CB :: 63.717 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.439 HB2 :: 3.887 HB3 :: 3.887 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.5 D 0.22 F 0.09 Y 0.09 L 0.06 C Shift Assignments>> CA :: 53.462 CB :: 39.073 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>> HA :: 4.690 HB2 :: 2.854 HB3 :: 2.779 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) 1.N115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.49 D 0.22 F 0.09 Y 0.09 L 0.07 C Shift Assignments>> CA :: 53.476 CB :: 39.073 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>> HA :: 4.690 HB2 :: 2.854 HB3 :: 2.779 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) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 L 0.01 C Shift Assignments>> CA :: 52.748 CB :: 19.559 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.144 HA :: 4.355 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.691 Ave N Shift Values>> N :: 123.23(3.54) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 K 0.1 M 0.1 Q 0.06 I 0.06 C Shift Assignments>> CA :: 56.731 CB :: 29.944 CG :: 36.470 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 :: 8.234 HA :: 4.284 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 2.248 HG3 :: 2.248 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 :: 120.174 Ave N Shift Values>> N :: 120.67(3.48) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.23 G 0.02 C Shift Assignments>> CA :: 57.835 CB :: 33.914 CG :: 25.042 CD :: 29.106 CE :: 42.465 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.827 HA :: 4.162 HB2 :: 1.720 HB3 :: 1.827 HG2 :: 1.394 HG3 :: 1.394 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 3.009 HE3 :: 3.009 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y1 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C Shift Assignments>> C :: 175.467 CA :: 357.681(A) CB :: 338.686(A) 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>> HA :: 4.631 HB2 :: 3.123 HB3 :: 2.915 HD1 :: 7.139 HD2 :: 7.139 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) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.D2 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 175.543 CA :: 354.531(A) CB :: 341.273(A) 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 :: 8.132 HA :: 4.567 HB2 :: 2.615 HB3 :: 2.615 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 :: 421.487(A) Ave N Shift Values>> N :: 120.65(3.86) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.K3 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CA :: 353.984(A) CB :: 332.988(A) CG :: 324.616(A) CE :: 342.313(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.843 HA :: 4.632 HB2 :: 1.688 HB3 :: 1.814 HG2 :: 1.407 HG3 :: 1.407 HE2 :: 2.967 HE3 :: 2.967 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 :: 421.437(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.P4 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C Shift Assignments>> C :: 176.386 CA :: 363.087(A) CB :: 332.146(A) CG :: 327.402(A) CD :: 350.648(A) 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 :: 4.463 HB2 :: 1.907 HB3 :: 2.291 HG2 :: 2.011 HG3 :: 2.039 HD2 :: 3.768 HD3 :: 3.630 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) 2.A5 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CA :: 350.079(A) CB :: 318.868(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.286 HA :: 4.684 HB1 :: 1.234 HB2 :: 1.234 HB3 :: 1.234 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 424.918(A) Ave N Shift Values>> N :: 123.23(3.54) 2.P6 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C Shift Assignments>> C :: 176.320 CA :: 362.665(A) CB :: 331.831(A) CG :: 327.195(A) CD :: 350.145(A) 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 :: 4.331 HB2 :: 1.737 HB3 :: 2.085 HG2 :: 1.641 HG3 :: 1.379 HD2 :: 3.288 HD3 :: 3.785 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) 2.E7 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> HN Overlap>> 2.N39 2.N39 C Shift Assignments>> C :: 176.511 CA :: 356.365(A) CB :: 330.834(A) CG :: 336.324(A) 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 :: 8.361 HA :: 4.346 HB2 :: 1.715 HB3 :: 1.896 HG2 :: 2.151 HG3 :: 2.175 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 :: 422.043(A) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 2.N8 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 177.246 CA :: 352.277(A) CB :: 342.798(A) 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 :: 8.739 HA :: 5.325 HB2 :: 2.787 HB3 :: 2.787 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 :: 415.308(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.R9 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 175.728 CA :: 358.124(A) CD :: 342.623(A) 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 :: 9.857 HA :: 3.644 HB2 :: 0.351(S) HB3 :: 0.221(S) HG2 :: -0.080(S) HG3 :: -0.405(S) HD2 :: 1.992(S) HD3 :: 1.026(S) 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 :: 419.972(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) (C > CD : 1.0000) 2.F10 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 173.948 CA :: 356.346(A) CB :: 341.700(A) CD1 :: 131.485 CD2 :: 131.485 CE1 :: 131.738 CE2 :: 131.738 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.471 HA :: 4.993 HB2 :: 3.023 HB3 :: 3.398 HD1 :: 7.036 HD2 :: 7.036 HE1 :: 7.160 HE2 :: 7.160 HZ :: 7.215 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 :: 417.477(A) Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (CD1 > CA : 1.0000) (CD2 > CA : 1.0000) (CE1 > CA : 0.9983) (CE2 > CA : 0.9973) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) 2.A11 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.616 CA :: 353.052(A) CB :: 316.774(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.867 HA :: 4.233 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 :: 422.649(A) Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 2.I12 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 177.029 CA :: 362.184(A) CB :: 339.785(A) CG1 :: 329.288(A) CG2 :: 317.526(A) CD1 :: 314.600(A) 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 :: 8.108 HA :: 3.977 HB :: 1.320 HG12 :: 1.623 HG13 :: 0.924 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 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 :: 419.567(A) Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) (C > CD1 : 1.0000) 2.M13 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CB :: 332.173(A) CG :: 332.686(A) CE :: 317.645(A) 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 :: 8.452 HB2 :: 2.030 HB3 :: 1.946 HG2 :: 2.611 HG3 :: 2.834 HE1 :: 2.122 HE2 :: 2.122 HE3 :: 2.122 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 :: 428.252(A) Ave N Shift Values>> N :: 120.09(3.57) 2.P14 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> C Shift Assignments>> C :: 178.222 CA :: 362.816(A) CB :: 333.586(A) CG :: 327.324(A) 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 :: 4.144 HB2 :: 2.057 HB3 :: 1.906 HG2 :: 1.937 HG3 :: 1.758 HD2 :: 3.769 HD3 :: 3.602 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 2.G15 Overall: Anomalous Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous C Shift Assignments>> C :: 176.107 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.948 HA2 :: 4.105 HA3 :: 4.146 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 409.109(A) Ave N Shift Values>> N :: 109.67(3.87) 2.S16 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.058 CA :: 361.278(A) CB :: 363.618(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.686 HA :: 4.266 HB2 :: 4.017 HB3 :: 4.017 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 :: 416.964(A) Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.R17 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.651 CA :: 355.450(A) CB :: 329.120(A) CG :: 327.430(A) CD :: 342.642(A) 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 :: 8.933 HA :: 4.402 HB2 :: 1.999 HB3 :: 1.763 HG2 :: 1.711 HG3 :: 1.749 HD2 :: 3.165 HD3 :: 3.214 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 :: 418.302(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) 2.W18 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 175.985 CA :: 357.804(A) CB :: 328.163(A) CD1 :: 127.054 CE3 :: 121.036 CZ2 :: 114.109 CZ3 :: 123.195 CH2 :: 125.550 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.611 HA :: 5.289 HB2 :: 3.407 HB3 :: 2.801 HD1 :: 8.000 HE1 :: 10.341 HE3 :: 7.496 HZ2 :: 6.721 HZ3 :: 7.120 HH2 :: 7.051 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 :: 419.286(A) NE1 :: 435.960(A) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (CD1 > CA : 1.0000) (CE3 > CA : 1.0000) (CZ2 > CA : 1.0000) (CZ3 > CA : 1.0000) (CH2 > CA : 1.0000) (CD1 > CB : 1.0000) (CE3 > CB : 1.0000) (CZ2 > CB : 1.0000) (CZ3 > CB : 1.0000) (CH2 > CB : 1.0000) 2.D19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CA :: 353.538(A) CB :: 340.189(A) 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 :: 7.560 HA :: 4.281 HB2 :: 2.883 HB3 :: 2.559 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 :: 428.093(A) Ave N Shift Values>> N :: 120.65(3.86) 2.G20 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Indeterminable PRTL>> C Shift Assignments>> CA :: 344.168(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 4.577(S) HA2 :: 0.596(A) HA3 :: 3.148 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.V21 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 174.900 CA :: 362.057(A) CB :: 331.747(A) CG1 :: 321.185(A) CG2 :: 320.420(A) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.833 HA :: 3.849 HB :: 2.139 HG11 :: 0.632 HG12 :: 0.632 HG13 :: 0.632 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 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 :: 422.053(A) Ave N Shift Values>> N :: 121.14(4.54) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) 2.H22 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CA :: 355.084(A) CB :: 329.046(A) CD2 :: 121.252 CE1 :: 137.638 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 :: 8.725 HA :: 5.351 HB2 :: 3.349 HB3 :: 3.230 HD2 :: 7.345 HE1 :: 8.691 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 :: 427.146(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (CD2 > CA : 1.0000) (CE1 > CA : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 1.0000) 2.R23 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 172.956 CA :: 354.964(A) CG :: 328.290(A) 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 :: 10.703(S) HA :: 4.028 HB2 :: 1.571 HB3 :: 0.013(S) HG2 :: 1.225 HG3 :: 1.848 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 :: 433.808(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (C > CA : 1.0000) (C > CG : 1.0000) 2.S24 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 173.472 CA :: 356.122(A) CB :: 365.087(A) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.738 HA :: 4.384 HB2 :: 4.051 HB3 :: 3.165 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 :: 415.692(A) Ave N Shift Values>> N :: 116.28(3.52) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.N25 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.493 CA :: 353.834(A) CB :: 338.383(A) 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 :: 9.462 HA :: 4.860 HB2 :: 3.521 HB3 :: 2.605 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 :: 426.314(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.G26 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.069 CA :: 344.994(A) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.424 HA2 :: 4.621 HA3 :: 3.894 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 408.559(A) Ave N Shift Values>> N :: 109.67(3.87) SRO Rule Breaks>> (C > CA : 1.0000) 2.F27 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 178.329 CA :: 363.618(A) CB :: 339.826(A) CD1 :: 132.589 CD2 :: 132.589 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 :: 8.755 HA :: 3.826 HB2 :: 3.580 HB3 :: 2.687 HD1 :: 7.186 HD2 :: 7.186 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 :: 422.843(A) Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (CD1 > CA : 1.0000) (CD2 > CA : 1.0000) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) 2.E28 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Suspicious N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 179.236 CA :: 360.826(A) CB :: 329.690(A) 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 :: 8.652 HA :: 4.016 HB2 :: 2.762(S) HB3 :: 2.226 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 421.565(A) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.E29 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 180.118 CA :: 359.963(A) CB :: 329.899(A) CG :: 337.230(A) 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 :: 8.426 HA :: 4.260 HB2 :: 2.197 HB3 :: 2.152 HG2 :: 2.424 HG3 :: 2.472 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 :: 416.359(A) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 2.K30 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 178.497 CA :: 359.222(A) CB :: 332.041(A) CG :: 325.487(A) CD :: 329.284(A) CE :: 342.334(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.782 HA :: 4.045 HB2 :: 1.766 HB3 :: 1.676 HG2 :: 1.307 HG3 :: 1.502 HD2 :: 1.556 HD3 :: 1.607 HE2 :: 2.915 HE3 :: 2.915 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 :: 420.458(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 2.W31 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 179.408 CA :: 362.099(A) CB :: 328.795(A) CD1 :: 126.342 CE3 :: 120.704 CZ2 :: 114.225 CZ3 :: 122.082 CH2 :: 124.464 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 :: 8.516 HA :: 3.749 HB2 :: 3.437 HB3 :: 2.755 HD1 :: 6.776 HE1 :: 9.903 HE3 :: 6.622 HZ2 :: 7.271 HZ3 :: 6.639 HH2 :: 7.039 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 :: 423.160(A) NE1 :: 428.542(A) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (CD1 > CA : 1.0000) (CE3 > CA : 1.0000) (CZ2 > CA : 1.0000) (CZ3 > CA : 1.0000) (CH2 > CA : 1.0000) (CD1 > CB : 1.0000) (CE3 > CB : 1.0000) (CZ2 > CB : 1.0000) (CZ3 > CB : 1.0000) (CH2 > CB : 1.0000) 2.F32 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 178.327 CA :: 362.090(A) CB :: 339.305(A) CD1 :: 132.403 CD2 :: 132.403 CE1 :: 131.264 CE2 :: 131.264 CZ :: 128.948 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 :: 8.493 HA :: 4.119 HB2 :: 3.239 HB3 :: 3.087 HD1 :: 7.557 HD2 :: 7.557 HE1 :: 7.316 HE2 :: 7.316 HZ :: 6.871 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 :: 417.427(A) Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (CD1 > CA : 1.0000) (CD2 > CA : 1.0000) (CE1 > CA : 0.9983) (CE2 > CA : 0.9973) (CZ > CA : 1.0000) (CD1 > CB : 1.0000) (CD2 > CB : 1.0000) (CE1 > CB : 0.9982) (CE2 > CB : 0.9973) (CZ > CB : 1.0000) 2.A33 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 179.696 CA :: 354.698(A) CB :: 318.310(A) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.870 HA :: 4.205 HB1 :: 1.516 HB2 :: 1.516 HB3 :: 1.516 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 421.894(A) Ave N Shift Values>> N :: 123.23(3.54) SRO Rule Breaks>> (C > CA : 0.9996) (C > CB : 1.0000) 2.K34 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 178.022 CA :: 357.508(A) CB :: 331.926(A) CG :: 324.563(A) CD :: 328.700(A) CE :: 342.085(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.705 HA :: 4.094 HB2 :: 1.687 HB3 :: 1.687 HG2 :: 1.341 HG3 :: 1.341 HD2 :: 1.526 HD3 :: 1.526 HE2 :: 2.826 HE3 :: 2.826 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 :: 417.951(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) (C > CD : 1.0000) (C > CE : 1.0000) 2.Q35 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.868 CA :: 356.830(A) CB :: 328.286(A) CG :: 333.032(A) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.587 HA :: 3.882 HB2 :: 1.689 HB3 :: 1.934 HG2 :: 1.760 HG3 :: 1.874 HE21 :: 6.421 HE22 :: 6.623 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 :: 418.059(A) NE2 :: 412.160(A) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 2.N36 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 175.548 CA :: 354.022(A) CB :: 339.178(A) 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 :: 7.889 HA :: 4.644 HB2 :: 2.850 HB3 :: 2.734 HD21 :: 6.873 HD22 :: 7.534 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 :: 416.922(A) ND2 :: 412.795(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.E37 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.821 CA :: 357.358(A) CB :: 330.222(A) CG :: 336.386(A) 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 :: 7.808 HA :: 4.233 HB2 :: 2.071 HB3 :: 2.014 HG2 :: 2.313 HG3 :: 2.225 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 :: 420.249(A) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG : 1.0000) 2.I38 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 176.288 CA :: 361.770(A) CB :: 338.695(A) CG1 :: 327.467(A) CG2 :: 317.615(A) CD1 :: 313.121(A) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.882 HA :: 4.132 HB :: 1.882 HG12 :: 1.469 HG13 :: 1.184 HG21 :: 0.901 HG22 :: 0.901 HG23 :: 0.901 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 419.947(A) Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) (C > CG1 : 1.0000) (C > CG2 : 1.0000) (C > CD1 : 1.0000) 2.N39 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> HN Overlap>> 2.E7 2.E7 C Shift Assignments>> C :: 174.943 CA :: 353.480(A) CB :: 339.588(A) 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 :: 8.290 HA :: 4.761 HB2 :: 2.845 HB3 :: 2.744 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 :: 421.974(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.E40 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> C :: 175.367 CA :: 356.784(A) CB :: 330.166(A) 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 :: 8.177 HA :: 4.314 HB2 :: 2.098 HB3 :: 1.953 HG2 :: 2.257 HG3 :: 2.257 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 :: 421.836(A) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (C > CA : 1.0000) (C > CB : 1.0000) 2.K41 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Anomalous PRTL>> C Shift Assignments>> CA :: 356.877(A) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.866 HA :: 4.321 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 :: 427.245(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 7 #Anomalous: 42 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 153 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 34 C Shift Results: #Consistent: 422 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 105 H Shift Results: #Consistent: 989 #Duplicate: 0 #Unknown: 0 #Suspicious: 21 #Anomalous: 3 N Shift Results: #Consistent: 108 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 40 Error Summary: 1.N17 HB2 = 3.876(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.8449e-04 1.E24 H = 10.410(S), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2281e-04 1.E33 HA = 2.246(S), Expected = 4.25, Std = 0.4100, ChiSquare = 1.0197e-06 1.E33 HG2 = 0.519(A), Expected = 2.27, Std = 0.2100, ChiSquare = 7.5497e-17 1.E33 HG3 = 0.476(A), Expected = 2.25, Std = 0.2200, ChiSquare = 7.4058e-16 1.S43 HB2 = 2.838(S), Expected = 3.88, Std = 0.2500, ChiSquare = 3.0728e-05 1.S43 HB3 = 2.727(S), Expected = 3.85, Std = 0.2700, ChiSquare = 3.1928e-05 1.L57 HD21 = -0.334(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4353e-04 1.L57 HD22 = -0.334(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4353e-04 1.L57 HD23 = -0.334(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4353e-04 1.K58 HB2 = 0.223(S), Expected = 1.78, Std = 0.2500, ChiSquare = 4.7243e-10 1.R63 HB2 = 0.576(S), Expected = 1.79, Std = 0.2700, ChiSquare = 6.9147e-06 1.D70 HB2 = 0.987(S), Expected = 2.72, Std = 0.2600, ChiSquare = 2.6397e-11 2.Y1 CA = 357.681(A), Expected = 58.13, Std = 2.5100, ChiSquare = 0.0000e+00 2.Y1 CB = 338.686(A), Expected = 39.32, Std = 2.1600, ChiSquare = 0.0000e+00 2.Y1 SRO Rule Break>> C > CA : 1 2.Y1 SRO Rule Break>> C > CB : 1 2.D2 CA = 354.531(A), Expected = 54.69, Std = 2.0300, ChiSquare = 0.0000e+00 2.D2 CB = 341.273(A), Expected = 40.88, Std = 1.6200, ChiSquare = 0.0000e+00 2.D2 N = 421.487(A), Expected = 120.65, Std = 3.8600, ChiSquare = 0.0000e+00 2.D2 SRO Rule Break>> C > CA : 1 2.D2 SRO Rule Break>> C > CB : 1 2.K3 CA = 353.984(A), Expected = 56.95, Std = 2.2000, ChiSquare = 0.0000e+00 2.K3 CB = 332.988(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 2.K3 CG = 324.616(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 2.K3 CE = 342.313(A), Expected = 41.89, Std = 0.8200, ChiSquare = 0.0000e+00 2.K3 N = 421.437(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 2.P4 CA = 363.087(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 2.P4 CB = 332.146(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 2.P4 CG = 327.402(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 2.P4 CD = 350.648(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 2.P4 SRO Rule Break>> C > CA : 1 2.P4 SRO Rule Break>> C > CB : 1 2.P4 SRO Rule Break>> C > CG : 1 2.P4 SRO Rule Break>> C > CD : 1 2.A5 CA = 350.079(A), Expected = 53.14, Std = 1.9800, ChiSquare = 0.0000e+00 2.A5 CB = 318.868(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 2.A5 N = 424.918(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 2.P6 CA = 362.665(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 2.P6 CB = 331.831(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 2.P6 CG = 327.195(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 2.P6 CD = 350.145(A), Expected = 50.32, Std = 0.9900, ChiSquare = 0.0000e+00 2.P6 SRO Rule Break>> C > CA : 1 2.P6 SRO Rule Break>> C > CB : 1 2.P6 SRO Rule Break>> C > CG : 1 2.P6 SRO Rule Break>> C > CD : 1 2.E7 CA = 356.365(A), Expected = 57.32, Std = 2.0900, ChiSquare = 0.0000e+00 2.E7 CB = 330.834(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 2.E7 CG = 336.324(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 2.E7 N = 422.043(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 2.E7 SRO Rule Break>> C > CA : 1 2.E7 SRO Rule Break>> C > CB : 1 2.E7 SRO Rule Break>> C > CG : 1 2.N8 CA = 352.277(A), Expected = 53.54, Std = 1.8800, ChiSquare = 0.0000e+00 2.N8 CB = 342.798(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 2.N8 N = 415.308(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 2.N8 SRO Rule Break>> C > CA : 1 2.N8 SRO Rule Break>> C > CB : 1 2.R9 CA = 358.124(A), Expected = 56.77, Std = 2.3100, ChiSquare = 0.0000e+00 2.R9 CD = 342.623(A), Expected = 43.16, Std = 0.8800, ChiSquare = 0.0000e+00 2.R9 HB2 = 0.351(S), Expected = 1.79, Std = 0.2700, ChiSquare = 9.8413e-08 2.R9 HB3 = 0.221(S), Expected = 1.76, Std = 0.2800, ChiSquare = 3.8756e-08 2.R9 HG2 = -0.080(S), Expected = 1.57, Std = 0.2700, ChiSquare = 9.8940e-10 2.R9 HG3 = -0.405(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.9881e-11 2.R9 HD2 = 1.992(S), Expected = 3.12, Std = 0.2400, ChiSquare = 2.6016e-06 2.R9 HD3 = 1.026(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.5003e-15 2.R9 N = 419.972(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 2.R9 SRO Rule Break>> C > CA : 1 2.R9 SRO Rule Break>> C > CD : 1 2.F10 CA = 356.346(A), Expected = 58.08, Std = 2.5700, ChiSquare = 0.0000e+00 2.F10 CB = 341.700(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 2.F10 N = 417.477(A), Expected = 120.45, Std = 4.1800, ChiSquare = 0.0000e+00 2.F10 SRO Rule Break>> C > CA : 1 2.F10 SRO Rule Break>> C > CB : 1 2.F10 SRO Rule Break>> CD1 > CA : 1 2.F10 SRO Rule Break>> CD2 > CA : 1 2.F10 SRO Rule Break>> CE1 > CA : 0.998257839721254 2.F10 SRO Rule Break>> CE2 > CA : 0.997304582210243 2.F10 SRO Rule Break>> CD1 > CB : 1 2.F10 SRO Rule Break>> CD2 > CB : 1 2.F10 SRO Rule Break>> CE1 > CB : 0.998242530755712 2.F10 SRO Rule Break>> CE2 > CB : 0.997282608695652 2.A11 CA = 353.052(A), Expected = 53.14, Std = 1.9800, ChiSquare = 0.0000e+00 2.A11 CB = 316.774(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 2.A11 N = 422.649(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 2.A11 SRO Rule Break>> C > CA : 0.999579478553406 2.A11 SRO Rule Break>> C > CB : 1 2.I12 CA = 362.184(A), Expected = 61.61, Std = 2.6800, ChiSquare = 0.0000e+00 2.I12 CB = 339.785(A), Expected = 38.63, Std = 2.0200, ChiSquare = 0.0000e+00 2.I12 CG1 = 329.288(A), Expected = 27.71, Std = 1.6800, ChiSquare = 0.0000e+00 2.I12 CG2 = 317.526(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 2.I12 CD1 = 314.600(A), Expected = 13.43, Std = 1.6700, ChiSquare = 0.0000e+00 2.I12 N = 419.567(A), Expected = 121.46, Std = 4.2800, ChiSquare = 0.0000e+00 2.I12 SRO Rule Break>> C > CA : 1 2.I12 SRO Rule Break>> C > CB : 1 2.I12 SRO Rule Break>> C > CG1 : 1 2.I12 SRO Rule Break>> C > CG2 : 1 2.I12 SRO Rule Break>> C > CD1 : 1 2.M13 CB = 332.173(A), Expected = 32.99, Std = 2.2400, ChiSquare = 0.0000e+00 2.M13 CG = 332.686(A), Expected = 32.01, Std = 1.2400, ChiSquare = 0.0000e+00 2.M13 CE = 317.645(A), Expected = 17.07, Std = 1.5800, ChiSquare = 0.0000e+00 2.M13 N = 428.252(A), Expected = 120.09, Std = 3.5700, ChiSquare = 0.0000e+00 2.P14 CA = 362.816(A), Expected = 63.33, Std = 1.5200, ChiSquare = 0.0000e+00 2.P14 CB = 333.586(A), Expected = 31.85, Std = 1.1800, ChiSquare = 0.0000e+00 2.P14 CG = 327.324(A), Expected = 27.17, Std = 1.0900, ChiSquare = 0.0000e+00 2.P14 SRO Rule Break>> C > CA : 1 2.P14 SRO Rule Break>> C > CB : 1 2.P14 SRO Rule Break>> C > CG : 1 2.G15 N = 409.109(A), Expected = 109.67, Std = 3.8700, ChiSquare = 0.0000e+00 2.S16 CA = 361.278(A), Expected = 58.72, Std = 2.0700, ChiSquare = 0.0000e+00 2.S16 CB = 363.618(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 2.S16 N = 416.964(A), Expected = 116.28, Std = 3.5200, ChiSquare = 0.0000e+00 2.S16 SRO Rule Break>> C > CA : 1 2.S16 SRO Rule Break>> C > CB : 1 2.R17 CA = 355.450(A), Expected = 56.77, Std = 2.3100, ChiSquare = 0.0000e+00 2.R17 CB = 329.120(A), Expected = 30.70, Std = 1.8300, ChiSquare = 0.0000e+00 2.R17 CG = 327.430(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 2.R17 CD = 342.642(A), Expected = 43.16, Std = 0.8800, ChiSquare = 0.0000e+00 2.R17 N = 418.302(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 2.R17 SRO Rule Break>> C > CA : 1 2.R17 SRO Rule Break>> C > CB : 1 2.R17 SRO Rule Break>> C > CG : 1 2.R17 SRO Rule Break>> C > CD : 1 2.W18 CA = 357.804(A), Expected = 57.66, Std = 2.5800, ChiSquare = 0.0000e+00 2.W18 CB = 328.163(A), Expected = 30.01, Std = 2.0100, ChiSquare = 0.0000e+00 2.W18 N = 419.286(A), Expected = 121.68, Std = 4.1800, ChiSquare = 0.0000e+00 2.W18 NE1 = 435.960(A), Expected = 129.32, Std = 2.1100, ChiSquare = 0.0000e+00 2.W18 SRO Rule Break>> C > CA : 1 2.W18 SRO Rule Break>> C > CB : 1 2.W18 SRO Rule Break>> CD1 > CA : 1 2.W18 SRO Rule Break>> CE3 > CA : 1 2.W18 SRO Rule Break>> CZ2 > CA : 1 2.W18 SRO Rule Break>> CZ3 > CA : 1 2.W18 SRO Rule Break>> CH2 > CA : 1 2.W18 SRO Rule Break>> CD1 > CB : 1 2.W18 SRO Rule Break>> CE3 > CB : 1 2.W18 SRO Rule Break>> CZ2 > CB : 1 2.W18 SRO Rule Break>> CZ3 > CB : 1 2.W18 SRO Rule Break>> CH2 > CB : 1 2.D19 CA = 353.538(A), Expected = 54.69, Std = 2.0300, ChiSquare = 0.0000e+00 2.D19 CB = 340.189(A), Expected = 40.88, Std = 1.6200, ChiSquare = 0.0000e+00 2.D19 N = 428.093(A), Expected = 120.65, Std = 3.8600, ChiSquare = 0.0000e+00 2.G20 CA = 344.168(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 2.G20 H = 4.577(S), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7482e-09 2.G20 HA2 = 0.596(A), Expected = 3.97, Std = 0.3700, ChiSquare = 7.5877e-20 2.V21 CA = 362.057(A), Expected = 62.49, Std = 2.8600, ChiSquare = 0.0000e+00 2.V21 CB = 331.747(A), Expected = 32.73, Std = 1.7900, ChiSquare = 0.0000e+00 2.V21 CG1 = 321.185(A), Expected = 21.49, Std = 1.3600, ChiSquare = 0.0000e+00 2.V21 CG2 = 320.420(A), Expected = 21.26, Std = 1.5600, ChiSquare = 0.0000e+00 2.V21 N = 422.053(A), Expected = 121.14, Std = 4.5400, ChiSquare = 0.0000e+00 2.V21 SRO Rule Break>> C > CA : 1 2.V21 SRO Rule Break>> C > CB : 1 2.V21 SRO Rule Break>> C > CG1 : 1 2.V21 SRO Rule Break>> C > CG2 : 1 2.H22 CA = 355.084(A), Expected = 56.52, Std = 2.3100, ChiSquare = 0.0000e+00 2.H22 CB = 329.046(A), Expected = 30.24, Std = 2.0700, ChiSquare = 0.0000e+00 2.H22 N = 427.146(A), Expected = 119.69, Std = 4.0000, ChiSquare = 0.0000e+00 2.H22 SRO Rule Break>> CD2 > CA : 1 2.H22 SRO Rule Break>> CE1 > CA : 1 2.H22 SRO Rule Break>> CD2 > CB : 1 2.H22 SRO Rule Break>> CE1 > CB : 1 2.R23 CA = 354.964(A), Expected = 56.77, Std = 2.3100, ChiSquare = 0.0000e+00 2.R23 CG = 328.290(A), Expected = 27.21, Std = 1.2000, ChiSquare = 0.0000e+00 2.R23 H = 10.703(S), Expected = 8.24, Std = 0.6100, ChiSquare = 5.3977e-05 2.R23 HB3 = 0.013(S), Expected = 1.76, Std = 0.2800, ChiSquare = 4.3957e-10 2.R23 N = 433.808(A), Expected = 120.80, Std = 3.6800, ChiSquare = 0.0000e+00 2.R23 SRO Rule Break>> C > CA : 1 2.R23 SRO Rule Break>> C > CG : 1 2.S24 CA = 356.122(A), Expected = 58.72, Std = 2.0700, ChiSquare = 0.0000e+00 2.S24 CB = 365.087(A), Expected = 63.80, Std = 1.4800, ChiSquare = 0.0000e+00 2.S24 N = 415.692(A), Expected = 116.28, Std = 3.5200, ChiSquare = 0.0000e+00 2.S24 SRO Rule Break>> C > CA : 1 2.S24 SRO Rule Break>> C > CB : 1 2.N25 CA = 353.834(A), Expected = 53.54, Std = 1.8800, ChiSquare = 0.0000e+00 2.N25 CB = 338.383(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 2.N25 N = 426.314(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 2.N25 SRO Rule Break>> C > CA : 1 2.N25 SRO Rule Break>> C > CB : 1 2.G26 CA = 344.994(A), Expected = 45.35, Std = 1.3400, ChiSquare = 0.0000e+00 2.G26 N = 408.559(A), Expected = 109.67, Std = 3.8700, ChiSquare = 0.0000e+00 2.G26 SRO Rule Break>> C > CA : 1 2.F27 CA = 363.618(A), Expected = 58.08, Std = 2.5700, ChiSquare = 0.0000e+00 2.F27 CB = 339.826(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 2.F27 N = 422.843(A), Expected = 120.45, Std = 4.1800, ChiSquare = 0.0000e+00 2.F27 SRO Rule Break>> C > CA : 1 2.F27 SRO Rule Break>> C > CB : 1 2.F27 SRO Rule Break>> CD1 > CA : 1 2.F27 SRO Rule Break>> CD2 > CA : 1 2.F27 SRO Rule Break>> CD1 > CB : 1 2.F27 SRO Rule Break>> CD2 > CB : 1 2.E28 CA = 360.826(A), Expected = 57.32, Std = 2.0900, ChiSquare = 0.0000e+00 2.E28 CB = 329.690(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 2.E28 HB2 = 2.762(S), Expected = 2.02, Std = 0.2100, ChiSquare = 4.1035e-04 2.E28 N = 421.565(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 2.E28 SRO Rule Break>> C > CA : 1 2.E28 SRO Rule Break>> C > CB : 1 2.E29 CA = 359.963(A), Expected = 57.32, Std = 2.0900, ChiSquare = 0.0000e+00 2.E29 CB = 329.899(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 2.E29 CG = 337.230(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 2.E29 N = 416.359(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 2.E29 SRO Rule Break>> C > CA : 1 2.E29 SRO Rule Break>> C > CB : 1 2.E29 SRO Rule Break>> C > CG : 1 2.K30 CA = 359.222(A), Expected = 56.95, Std = 2.2000, ChiSquare = 0.0000e+00 2.K30 CB = 332.041(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 2.K30 CG = 325.487(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 2.K30 CD = 329.284(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 2.K30 CE = 342.334(A), Expected = 41.89, Std = 0.8200, ChiSquare = 0.0000e+00 2.K30 N = 420.458(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 2.K30 SRO Rule Break>> C > CA : 1 2.K30 SRO Rule Break>> C > CB : 1 2.K30 SRO Rule Break>> C > CG : 1 2.K30 SRO Rule Break>> C > CD : 1 2.K30 SRO Rule Break>> C > CE : 1 2.W31 CA = 362.099(A), Expected = 57.66, Std = 2.5800, ChiSquare = 0.0000e+00 2.W31 CB = 328.795(A), Expected = 30.01, Std = 2.0100, ChiSquare = 0.0000e+00 2.W31 N = 423.160(A), Expected = 121.68, Std = 4.1800, ChiSquare = 0.0000e+00 2.W31 NE1 = 428.542(A), Expected = 129.32, Std = 2.1100, ChiSquare = 0.0000e+00 2.W31 SRO Rule Break>> C > CA : 1 2.W31 SRO Rule Break>> C > CB : 1 2.W31 SRO Rule Break>> CD1 > CA : 1 2.W31 SRO Rule Break>> CE3 > CA : 1 2.W31 SRO Rule Break>> CZ2 > CA : 1 2.W31 SRO Rule Break>> CZ3 > CA : 1 2.W31 SRO Rule Break>> CH2 > CA : 1 2.W31 SRO Rule Break>> CD1 > CB : 1 2.W31 SRO Rule Break>> CE3 > CB : 1 2.W31 SRO Rule Break>> CZ2 > CB : 1 2.W31 SRO Rule Break>> CZ3 > CB : 1 2.W31 SRO Rule Break>> CH2 > CB : 1 2.F32 CA = 362.090(A), Expected = 58.08, Std = 2.5700, ChiSquare = 0.0000e+00 2.F32 CB = 339.305(A), Expected = 39.99, Std = 2.0900, ChiSquare = 0.0000e+00 2.F32 N = 417.427(A), Expected = 120.45, Std = 4.1800, ChiSquare = 0.0000e+00 2.F32 SRO Rule Break>> C > CA : 1 2.F32 SRO Rule Break>> C > CB : 1 2.F32 SRO Rule Break>> CD1 > CA : 1 2.F32 SRO Rule Break>> CD2 > CA : 1 2.F32 SRO Rule Break>> CE1 > CA : 0.998257839721254 2.F32 SRO Rule Break>> CE2 > CA : 0.997304582210243 2.F32 SRO Rule Break>> CZ > CA : 1 2.F32 SRO Rule Break>> CD1 > CB : 1 2.F32 SRO Rule Break>> CD2 > CB : 1 2.F32 SRO Rule Break>> CE1 > CB : 0.998242530755712 2.F32 SRO Rule Break>> CE2 > CB : 0.997282608695652 2.F32 SRO Rule Break>> CZ > CB : 1 2.A33 CA = 354.698(A), Expected = 53.14, Std = 1.9800, ChiSquare = 0.0000e+00 2.A33 CB = 318.310(A), Expected = 19.01, Std = 1.8300, ChiSquare = 0.0000e+00 2.A33 N = 421.894(A), Expected = 123.23, Std = 3.5400, ChiSquare = 0.0000e+00 2.A33 SRO Rule Break>> C > CA : 0.999579478553406 2.A33 SRO Rule Break>> C > CB : 1 2.K34 CA = 357.508(A), Expected = 56.95, Std = 2.2000, ChiSquare = 0.0000e+00 2.K34 CB = 331.926(A), Expected = 32.79, Std = 1.7800, ChiSquare = 0.0000e+00 2.K34 CG = 324.563(A), Expected = 24.89, Std = 1.1300, ChiSquare = 0.0000e+00 2.K34 CD = 328.700(A), Expected = 28.96, Std = 1.0800, ChiSquare = 0.0000e+00 2.K34 CE = 342.085(A), Expected = 41.89, Std = 0.8200, ChiSquare = 0.0000e+00 2.K34 N = 417.951(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00 2.K34 SRO Rule Break>> C > CA : 1 2.K34 SRO Rule Break>> C > CB : 1 2.K34 SRO Rule Break>> C > CG : 1 2.K34 SRO Rule Break>> C > CD : 1 2.K34 SRO Rule Break>> C > CE : 1 2.Q35 CA = 356.830(A), Expected = 56.57, Std = 2.1400, ChiSquare = 0.0000e+00 2.Q35 CB = 328.286(A), Expected = 29.19, Std = 1.8200, ChiSquare = 0.0000e+00 2.Q35 CG = 333.032(A), Expected = 33.76, Std = 1.1100, ChiSquare = 0.0000e+00 2.Q35 N = 418.059(A), Expected = 119.89, Std = 3.6000, ChiSquare = 0.0000e+00 2.Q35 NE2 = 412.160(A), Expected = 111.87, Std = 1.7200, ChiSquare = 0.0000e+00 2.Q35 SRO Rule Break>> C > CA : 1 2.Q35 SRO Rule Break>> C > CB : 1 2.Q35 SRO Rule Break>> C > CG : 1 2.N36 CA = 354.022(A), Expected = 53.54, Std = 1.8800, ChiSquare = 0.0000e+00 2.N36 CB = 339.178(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 2.N36 N = 416.922(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 2.N36 ND2 = 412.795(A), Expected = 112.75, Std = 2.2300, ChiSquare = 0.0000e+00 2.N36 SRO Rule Break>> C > CA : 1 2.N36 SRO Rule Break>> C > CB : 1 2.E37 CA = 357.358(A), Expected = 57.32, Std = 2.0900, ChiSquare = 0.0000e+00 2.E37 CB = 330.222(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 2.E37 CG = 336.386(A), Expected = 36.11, Std = 1.1900, ChiSquare = 0.0000e+00 2.E37 N = 420.249(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 2.E37 SRO Rule Break>> C > CA : 1 2.E37 SRO Rule Break>> C > CB : 1 2.E37 SRO Rule Break>> C > CG : 1 2.I38 CA = 361.770(A), Expected = 61.61, Std = 2.6800, ChiSquare = 0.0000e+00 2.I38 CB = 338.695(A), Expected = 38.63, Std = 2.0200, ChiSquare = 0.0000e+00 2.I38 CG1 = 327.467(A), Expected = 27.71, Std = 1.6800, ChiSquare = 0.0000e+00 2.I38 CG2 = 317.615(A), Expected = 17.53, Std = 1.3600, ChiSquare = 0.0000e+00 2.I38 CD1 = 313.121(A), Expected = 13.43, Std = 1.6700, ChiSquare = 0.0000e+00 2.I38 N = 419.947(A), Expected = 121.46, Std = 4.2800, ChiSquare = 0.0000e+00 2.I38 SRO Rule Break>> C > CA : 1 2.I38 SRO Rule Break>> C > CB : 1 2.I38 SRO Rule Break>> C > CG1 : 1 2.I38 SRO Rule Break>> C > CG2 : 1 2.I38 SRO Rule Break>> C > CD1 : 1 2.N39 CA = 353.480(A), Expected = 53.54, Std = 1.8800, ChiSquare = 0.0000e+00 2.N39 CB = 339.588(A), Expected = 38.69, Std = 1.6900, ChiSquare = 0.0000e+00 2.N39 N = 421.974(A), Expected = 118.93, Std = 4.0300, ChiSquare = 0.0000e+00 2.N39 SRO Rule Break>> C > CA : 1 2.N39 SRO Rule Break>> C > CB : 1 2.E40 CA = 356.784(A), Expected = 57.32, Std = 2.0900, ChiSquare = 0.0000e+00 2.E40 CB = 330.166(A), Expected = 30.01, Std = 1.7200, ChiSquare = 0.0000e+00 2.E40 N = 421.836(A), Expected = 120.67, Std = 3.4800, ChiSquare = 0.0000e+00 2.E40 SRO Rule Break>> C > CA : 1 2.E40 SRO Rule Break>> C > CB : 1 2.K41 CA = 356.877(A), Expected = 56.95, Std = 2.2000, ChiSquare = 0.0000e+00 2.K41 N = 427.245(A), Expected = 121.05, Std = 3.7700, ChiSquare = 0.0000e+00