Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.49 C 0.34 A 0.15 C Shift Assignments>> CA :: 55.218 CB :: 32.851 CG :: 30.916 CE :: 16.870 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>> HA :: 3.964 HB2 :: 2.148 HB3 :: 2.126 HG2 :: 2.600 HG3 :: 2.614 HE1 :: 2.126 HE2 :: 2.126 HE3 :: 2.126 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) 1.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 173.960 CA :: 62.134 CB :: 32.749 CG1 :: 21.422 CG2 :: 21.870 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.515 HB :: 1.835 HG11 :: 0.633 HG12 :: 0.633 HG13 :: 0.633 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 C 0.37 C Shift Assignments>> C :: 174.905 CA :: 54.862 CB :: 32.770 CG :: 24.798 CD :: 28.931 CE :: 41.666 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 :: 8.273 HA :: 4.563 HB2 :: 1.911 HB3 :: 1.750 HG2 :: 1.316 HG3 :: 1.367 HD2 :: 1.661 HD3 :: 1.599 HE2 :: 3.015 HE3 :: 2.924 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 :: 127.973 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.28 K 0.26 E 0.03 M 0.02 C Shift Assignments>> C :: 175.852 CA :: 54.636 CB :: 27.890 CG :: 33.789 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 :: 8.756 HA :: 4.609 HB2 :: 2.076 HB3 :: 2.042 HG2 :: 2.349 HG3 :: 2.274 HE21 :: 6.905 HE22 :: 7.566 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 :: 127.409 NE2 :: 112.819 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.16 I 0.01 C Shift Assignments>> C :: 176.350 CA :: 56.875 CB :: 35.355 CG1 :: 26.490 CG2 :: 18.500 CD1 :: 8.664 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 :: 8.693 HA :: 4.307 HB :: 2.175 HG12 :: 1.718 HG13 :: 1.685 HG21 :: 1.019 HG22 :: 1.019 HG23 :: 1.019 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 127.653 Ave N Shift Values>> N :: 121.46(4.28) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.12 Q 0.05 K 0.05 I 0.01 C Shift Assignments>> C :: 175.631 CA :: 55.798 CB :: 30.408 CG :: 36.350 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 :: 8.993 HA :: 4.518 HB2 :: 2.229 HB3 :: 2.002 HG2 :: 2.228 HG3 :: 2.186 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.777 Ave N Shift Values>> N :: 120.67(3.48) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.799 CA :: 56.684 CB :: 65.667 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.386 HA :: 4.883 HB2 :: 4.280 HB3 :: 4.118 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 :: 111.705 Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.46 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 178.454 CA :: 59.139 CB :: 31.375 CG :: 25.273 CD :: 29.575 CE :: 41.965 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.443 HA :: 3.925 HB2 :: 1.901 HB3 :: 1.837 HG2 :: 1.449 HG3 :: 1.641 HD2 :: 1.641 HD3 :: 1.740 HE2 :: 3.036 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 :: 122.449 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 176.273 CA :: 65.752 CB :: 67.538 CG2 :: 21.880 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 :: 8.190 HA :: 4.014 HB :: 4.068 HG21 :: 1.239 HG22 :: 1.239 HG23 :: 1.239 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 :: 115.333 Ave N Shift Values>> N :: 115.42(4.75) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.44 C 0.01 I 0.01 C Shift Assignments>> C :: 180.397 CA :: 54.062 CB :: 17.714 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.952 HA :: 4.227 HB1 :: 1.616 HB2 :: 1.616 HB3 :: 1.616 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.878 Ave N Shift Values>> N :: 123.23(3.54) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 Y 0.24 C 0.2 F 0.19 E 0.02 C Shift Assignments>> C :: 175.707 CA :: 60.172 CB :: 38.290 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 :: 8.122 HA :: 4.082 HB2 :: 3.404 HB3 :: 3.086 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.072 Ave N Shift Values>> N :: 120.45(4.18) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 Q 0.3 K 0.2 E 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 178.574 CA :: 57.906 CB :: 27.528 CG :: 33.887 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 :: 8.157 HA :: 3.599 HB2 :: 2.205 HB3 :: 2.149 HG2 :: 2.376 HG3 :: 2.484 HE21 :: 7.711 HE22 :: 6.853 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.439 NE2 :: 114.147 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.29 I 0.24 K 0.03 Q 0.01 C Shift Assignments>> C :: 179.205 CA :: 59.814 CB :: 29.445 CG :: 36.783 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 :: 8.281 HA :: 3.990 HB2 :: 2.069 HB3 :: 1.978 HG2 :: 2.479 HG3 :: 2.203 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 :: 117.825 Ave N Shift Values>> N :: 120.67(3.48) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 180.530 CA :: 54.886 CB :: 17.749 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.835 HA :: 4.077 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.864 Ave N Shift Values>> N :: 123.23(3.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.44 A 0.02 C Shift Assignments>> C :: 180.589 CA :: 57.220 CB :: 40.380 CG :: 26.193 CD1 :: 22.131 CD2 :: 24.671 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 :: 7.653 HA :: 3.730 HB2 :: 1.021 HB3 :: 1.584 HG :: 0.937 HD11 :: -0.090 HD12 :: -0.090 HD13 :: -0.090 HD21 :: -0.198 HD22 :: -0.198 HD23 :: -0.198 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.360 Ave N Shift Values>> N :: 121.86(3.9) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.18 L 0.12 C 0.11 N 0.07 I 0.03 K 0.01 C Shift Assignments>> C :: 178.482 CA :: 56.308 CB :: 39.928 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 :: 8.112 HA :: 4.341 HB2 :: 2.656 HB3 :: 2.688 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 :: 119.883 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.28 C 0.01 C Shift Assignments>> C :: 178.408 CA :: 52.598 CB :: 17.520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.096 HA :: 4.214 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.407 Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.1 C 0.04 L 0.04 C Shift Assignments>> C :: 178.722 CA :: 53.828 CB :: 20.000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.151 HA :: 3.938 HB1 :: 1.396 HB2 :: 1.396 HB3 :: 1.396 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.994 Ave N Shift Values>> N :: 123.23(3.54) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 176.075 CA :: 47.430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.630 HA2 :: 3.785 HA3 :: 3.947 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.103 Ave N Shift Values>> N :: 109.67(3.87) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.2 L 0.17 F 0.1 Y 0.08 C 0.06 K 0.03 C Shift Assignments>> C :: 175.971 CA :: 54.042 CB :: 40.469 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.047 HA :: 4.669 HB2 :: 2.770 HB3 :: 2.752 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.896 Ave N Shift Values>> N :: 120.65(3.86) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.41 G 0.02 C Shift Assignments>> C :: 176.459 CA :: 57.648 CB :: 33.474 CG :: 26.374 CD :: 29.429 CE :: 42.614 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 :: 7.774 HA :: 4.315 HB2 :: 1.899 HB3 :: 1.847 HG2 :: 1.671 HG3 :: 1.568 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 3.064 HE3 :: 3.063 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.501 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 L 0.22 G 0.06 K 0.01 C Shift Assignments>> C :: 173.650 CA :: 56.340 CB :: 42.762 CG :: 26.930 CD1 :: 27.380 CD2 :: 27.627 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 :: 8.859 HA :: 4.422 HB2 :: 1.984 HB3 :: 1.455 HG :: 1.569 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 1.052 HD22 :: 1.052 HD23 :: 1.052 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 :: 122.967 Ave N Shift Values>> N :: 121.86(3.9) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 175.315 CA :: 59.771 CB :: 33.699 CG1 :: 21.500 CG2 :: 21.500 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 :: 9.012 HA :: 4.873 HB :: 1.993 HG11 :: 0.632 HG12 :: 0.632 HG13 :: 0.632 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 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 :: 126.043 Ave N Shift Values>> N :: 121.14(4.54) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.V25 1.V25 C Shift Assignments>> C :: 173.513 CA :: 61.224 CB :: 32.675 CG1 :: 21.344 CG2 :: 21.748 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 :: 9.145 HA :: 4.447 HB :: 1.580 HG11 :: 0.450 HG12 :: 0.450 HG13 :: 0.450 HG21 :: 0.568 HG22 :: 0.568 HG23 :: 0.568 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 :: 126.761 Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 HN Overlap>> 1.V24 1.V24 C Shift Assignments>> C :: 174.370 CA :: 59.992 CB :: 33.613 CG1 :: 21.942 CG2 :: 22.296 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 :: 9.206 HA :: 4.683 HB :: 1.996 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.059 HG22 :: 0.059 HG23 :: 0.059 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 :: 126.799 Ave N Shift Values>> N :: 121.14(4.54) 1.D26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.72 C 0.11 D 0.07 Y 0.02 F 0.02 L 0.01 M 0.01 C Shift Assignments>> C :: 174.606 CA :: 50.891 CB :: 38.002 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 :: 8.431 HA :: 4.269 HB2 :: 2.212 HB3 :: 1.171(S) 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 :: 123.790 Ave N Shift Values>> N :: 120.65(3.86) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.34 C 0.24 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 173.312 CA :: 57.778 CB :: 38.666 CD1 :: 131.504 CD2 :: 131.504 CE1 :: 130.806 CE2 :: 130.806 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 :: 8.788 HA :: 5.075 HB2 :: 2.952 HB3 :: 2.393 HD1 :: 6.862 HD2 :: 6.862 HE1 :: 7.597 HE2 :: 7.597 HZ :: 7.374 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 :: 126.011 Ave N Shift Values>> N :: 120.45(4.18) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.590 CA :: 55.489 CB :: 66.121 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.547 HA :: 4.511 HB2 :: 3.534 HB3 :: 3.468 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 :: 117.632 Ave N Shift Values>> N :: 116.28(3.52) 1.A29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.02 C Shift Assignments>> C :: 179.404 CA :: 50.060 CB :: 20.851 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.639 HA :: 4.743 HB1 :: 0.050(S) HB2 :: 0.050(S) HB3 :: 0.050(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.389 Ave N Shift Values>> N :: 123.23(3.54) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.866 CA :: 65.034 CB :: 68.846 CG2 :: 21.751 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 :: 9.668 HA :: 3.846 HB :: 4.264 HG21 :: 1.380 HG22 :: 1.380 HG23 :: 1.380 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.386 Ave N Shift Values>> N :: 115.42(4.75) 1.W31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 W 0.46 C Shift Assignments>> C :: 176.339 CA :: 53.132 CB :: 28.928 CD1 :: 125.018 CE3 :: 118.518 CZ2 :: 115.274 CH2 :: 121.785 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 :: 6.475 HA :: 4.630 HB2 :: 3.161 HB3 :: 3.722 HD1 :: 7.157 HE1 :: 11.401 HE3 :: 7.199 HZ2 :: 7.407 HH2 :: 7.120 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 :: 114.338 NE1 :: 135.881 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 C 0.02 C Shift Assignments>> C :: 174.505 CA :: 55.157 CB :: 60.633 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.420 HA :: 3.976 HB2 :: 2.967(S) HB3 :: 3.370 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.325 Ave N Shift Values>> N :: 116.28(3.52) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.59 A 0.15 G 0.09 N 0.06 C 0.04 D 0.01 C Shift Assignments>> CA :: 48.625 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.495 HA2 :: 4.225 HA3 :: 3.942 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.828 Ave N Shift Values>> N :: 109.67(3.87) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 C Shift Assignments>> C :: 178.342 CA :: 65.870 CB :: 32.360 CG :: 28.239 CD :: 51.558 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 :: 4.367 HB2 :: 2.527 HB3 :: 1.842 HG2 :: 2.284 HG3 :: 2.060 HD2 :: 3.790 HD3 :: 3.994 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.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.575 CA :: 61.922 CB :: 62.568 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.367 HA :: 4.910 HB2 :: 3.937 HB3 :: 3.979 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 :: 111.186 Ave N Shift Values>> N :: 116.28(3.52) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.45 HN Overlap>> 1.Q63 1.Q63 C Shift Assignments>> C :: 179.593 CA :: 60.131 CB :: 32.178 CG :: 25.530 CD :: 29.528 CE :: 42.037 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 :: 8.065 HA :: 3.936 HB2 :: 1.918 HB3 :: 2.026 HG2 :: 1.484 HG3 :: 1.630 HD2 :: 1.748 HD3 :: 1.794 HE2 :: 3.026 HE3 :: 2.906 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> C :: 178.062 CA :: 58.574 CB :: 32.237 CG :: 32.187 CE :: 17.292 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 :: 8.220 HA :: 4.240 HB2 :: 2.264 HB3 :: 2.289 HG2 :: 2.785 HG3 :: 2.670 HE1 :: 2.159 HE2 :: 2.159 HE3 :: 2.159 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.172 Ave N Shift Values>> N :: 120.09(3.57) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.14 C Shift Assignments>> C :: 175.415 CA :: 59.808 CB :: 40.467 CG1 :: 31.895 CG2 :: 17.771 CD1 :: 14.654 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 :: 7.529 HA :: 4.671 HB :: 1.939 HG12 :: 1.855 HG13 :: 1.931 HG21 :: 1.315 HG22 :: 1.315 HG23 :: 1.315 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 115.607 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 K 0.26 G 0.02 C Shift Assignments>> CA :: 61.880 CB :: 30.147 CG :: 25.236 CD :: 28.900 CE :: 42.178 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 :: 7.509 HA :: 4.272 HB2 :: 2.135 HB3 :: 1.992 HG2 :: 1.324 HG3 :: 1.414 HD2 :: 1.663 HD3 :: 1.736 HE2 :: 2.935 HE3 :: 3.018 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.716 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 C Shift Assignments>> C :: 179.888 CA :: 66.526 CB :: 30.379 CG :: 28.631 CD :: 50.202 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 :: 4.460 HB2 :: 2.386 HB3 :: 1.993 HG2 :: 2.062 HG3 :: 2.179 HD2 :: 3.805 HD3 :: 3.898 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.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 F 0.29 C Shift Assignments>> C :: 177.522 CA :: 61.084 CB :: 39.038 CD1 :: 131.192 CD2 :: 131.192 CE1 :: 131.880 CE2 :: 131.880 CZ :: 132.885 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 :: 7.586 HA :: 4.488 HB2 :: 3.517 HB3 :: 3.238 HD1 :: 7.252 HD2 :: 7.252 HE1 :: 7.637 HE2 :: 7.637 HZ :: 7.335 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 120.45(4.18) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.24 F 0.2 C Shift Assignments>> C :: 176.491 CA :: 62.878 CB :: 39.419 CD1 :: 132.999 CD2 :: 132.999 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 :: 8.822 HA :: 3.995 HB2 :: 3.577 HB3 :: 3.154 HD1 :: 7.320 HD2 :: 7.320 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.235 Ave N Shift Values>> N :: 120.45(4.18) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.34 H 0.25 C Shift Assignments>> C :: 179.623 CA :: 60.552 CB :: 29.909 CD2 :: 119.503 CE1 :: 137.897 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 :: 8.332 HA :: 3.763 HB2 :: 3.202 HB3 :: 3.150 HD2 :: 7.290 HE1 :: 7.775 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 :: 115.049 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 177.296 CA :: 62.052 CB :: 61.881 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.479 HA :: 4.188 HB2 :: 3.952 HB3 :: 3.945 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 :: 119.282 Ave N Shift Values>> N :: 116.28(3.52) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.24 C Shift Assignments>> C :: 177.864 CA :: 57.954 CB :: 41.270 CG :: 25.435 CD1 :: 22.908 CD2 :: 26.896 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 :: 7.858 HA :: 3.831 HB2 :: 1.105 HB3 :: 1.533 HG :: 1.142 HD11 :: 0.678 HD12 :: 0.678 HD13 :: 0.678 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.123 Ave N Shift Values>> N :: 121.86(3.9) 1.S46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.441 CA :: 59.936 CB :: 62.207 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.737 HA :: 3.254 HB2 :: 2.959(S) HB3 :: 2.963 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 :: 114.978 Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 I 0.08 K 0.06 M 0.03 Q 0.03 C Shift Assignments>> C :: 176.795 CA :: 58.009 CB :: 29.763 CG :: 36.485 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 :: 6.801 HA :: 4.050 HB2 :: 1.985 HB3 :: 2.004 HG2 :: 2.109 HG3 :: 2.207 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.764 Ave N Shift Values>> N :: 120.67(3.48) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.45 C Shift Assignments>> C :: 176.701 CA :: 58.106 CB :: 34.289 CG :: 24.962 CD :: 30.160 CE :: 41.803 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.144 HA :: 4.030 HB2 :: 1.563 HB3 :: 1.626 HG2 :: 1.131 HG3 :: 0.540 HD2 :: 1.477 HD3 :: 1.375 HE2 :: 2.802 HE3 :: 2.738 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.519 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 175.945 CA :: 55.935 CB :: 36.536 CD1 :: 133.022 CD2 :: 133.022 CE1 :: 117.562 CE2 :: 117.562 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 :: 8.050 HA :: 4.821 HB2 :: 3.068 HB3 :: 3.036 HD1 :: 7.305 HD2 :: 7.305 HE1 :: 6.887 HE2 :: 6.887 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.966 Ave N Shift Values>> N :: 120.52(4.2) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.867 CA :: 60.262 CB :: 62.913 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.836 HA :: 4.464 HB2 :: 3.928 HB3 :: 4.045 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.231 Ave N Shift Values>> N :: 116.28(3.52) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.15 Y 0.05 D 0.04 E 0.04 M 0.04 F 0.04 HN Overlap>> 1.F89 1.F89 C Shift Assignments>> C :: 172.427 CA :: 52.540 CB :: 37.306 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 :: 9.141 HA :: 4.839 HB2 :: 3.002 HB3 :: 2.937 HD21 :: 6.868 HD22 :: 7.658 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 :: 118.562 ND2 :: 112.875 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 C Shift Assignments>> C :: 174.033 CA :: 61.600 CB :: 34.411 CG1 :: 22.814 CG2 :: 22.814 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 :: 7.518 HA :: 4.446 HB :: 2.115 HG11 :: 0.239 HG12 :: 0.239 HG13 :: 0.239 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.299 Ave N Shift Values>> N :: 121.14(4.54) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.773 CA :: 60.608 CB :: 38.135 CG1 :: 27.981 CG2 :: 17.562 CD1 :: 13.107 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 :: 8.804 HA :: 4.356 HB :: 1.908 HG12 :: 1.277 HG13 :: 1.436 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 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 :: 127.865 Ave N Shift Values>> N :: 121.46(4.28) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 F 0.36 C 0.18 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 174.865 CA :: 56.901 CB :: 40.218 CD1 :: 132.554 CD2 :: 132.554 CE1 :: 131.923 CE2 :: 131.923 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 :: 8.630 HA :: 5.232 HB2 :: 2.796 HB3 :: 2.411 HD1 :: 6.652 HD2 :: 6.652 HE1 :: 6.931 HE2 :: 6.931 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 :: 125.983 Ave N Shift Values>> N :: 120.45(4.18) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.26 C 0.09 A 0.02 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 175.065 CA :: 53.001 CB :: 45.232 CG :: 25.788 CD1 :: 23.895 CD2 :: 23.666 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.416 HA :: 5.460 HB2 :: 1.714 HB3 :: 1.300 HG :: 1.500 HD11 :: 0.556 HD12 :: 0.556 HD13 :: 0.556 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 122.484 Ave N Shift Values>> N :: 121.86(3.9) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.22 E 0.14 C Shift Assignments>> C :: 173.610 CA :: 55.102 CB :: 33.407 CG :: 36.764 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 :: 8.505 HA :: 4.989 HB2 :: 1.845 HB3 :: 1.802 HG2 :: 1.988 HG3 :: 2.153 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 :: 121.401 Ave N Shift Values>> N :: 120.67(3.48) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 173.505 CA :: 60.026 CB :: 33.471 CG1 :: 20.148 CG2 :: 21.096 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 :: 8.475 HA :: 3.997 HB :: 1.204 HG11 :: 0.176 HG12 :: 0.176 HG13 :: 0.176 HG21 :: 0.597 HG22 :: 0.597 HG23 :: 0.597 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.527 Ave N Shift Values>> N :: 121.14(4.54) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.23 N 0.14 K 0.08 C 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 178.026 CA :: 52.392 CB :: 41.617 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.016 HA :: 4.956 HB2 :: 2.834 HB3 :: 2.297 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.642 Ave N Shift Values>> N :: 120.65(3.86) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.1 C Shift Assignments>> C :: 175.983 CA :: 63.908 CB :: 29.849 CG1 :: 17.683 CG2 :: 22.144 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 :: 8.671 HA :: 3.700 HB :: 2.208 HG11 :: 0.948 HG12 :: 0.948 HG13 :: 0.948 HG21 :: 1.047 HG22 :: 1.047 HG23 :: 1.047 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 :: 119.733 Ave N Shift Values>> N :: 121.14(4.54) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.18 L 0.17 Y 0.15 N 0.09 C 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 177.889 CA :: 55.694 CB :: 40.389 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 :: 8.300 HA :: 4.844 HB2 :: 2.884 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 :: 119.606 Ave N Shift Values>> N :: 120.65(3.86) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 F 0.16 Y 0.14 N 0.1 C 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 177.470 CA :: 55.414 CB :: 40.367 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 :: 8.246 HA :: 4.637 HB2 :: 2.729 HB3 :: 2.885 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 :: 120.013 Ave N Shift Values>> N :: 120.65(3.86) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.27 C 0.17 Q 0.07 H 0.04 W 0.03 I 0.02 E 0.01 C Shift Assignments>> C :: 174.705 CA :: 55.749 CB :: 25.789 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.144 HA :: 4.890 HB2 :: 2.770 HB3 :: 2.680 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.253 Ave N Shift Values>> N :: 120.17(4.64) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.27 K 0.22 E 0.08 I 0.03 M 0.01 HN Overlap>> 1.K36 1.K36 C Shift Assignments>> C :: 178.180 CA :: 58.525 CB :: 28.015 CG :: 34.156 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 :: 8.101 HA :: 4.180 HB2 :: 2.159 HB3 :: 2.153 HG2 :: 2.561 HG3 :: 2.583 HE21 :: 7.049 HE22 :: 7.624 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 :: 122.277 NE2 :: 112.832 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 N 0.19 C 0.19 F 0.15 E 0.08 D 0.06 M 0.03 I 0.03 L 0.02 C Shift Assignments>> C :: 178.040 CA :: 55.625 CB :: 37.937 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 :: 8.918 HA :: 4.357 HB2 :: 2.823 HB3 :: 2.670 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 :: 118.521 Ave N Shift Values>> N :: 120.65(3.86) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 178.469 CA :: 64.706 CB :: 30.833 CG1 :: 20.905 CG2 :: 22.483 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 :: 7.698 HA :: 3.605 HB :: 1.852 HG11 :: 0.344 HG12 :: 0.344 HG13 :: 0.344 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.073 Ave N Shift Values>> N :: 121.14(4.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.39 I 0.02 C 0.02 C Shift Assignments>> C :: 178.487 CA :: 54.832 CB :: 17.731 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.940 HA :: 3.750 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.785 Ave N Shift Values>> N :: 123.23(3.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.787 CA :: 60.396 CB :: 62.105 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.369 HA :: 4.274 HB2 :: 4.009 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.978 Ave N Shift Values>> N :: 116.28(3.52) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 I 0.2 K 0.05 Q 0.01 C Shift Assignments>> C :: 178.280 CA :: 58.344 CB :: 28.655 CG :: 36.849 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 :: 8.197 HA :: 4.126 HB2 :: 2.114 HB3 :: 2.081 HG2 :: 2.229 HG3 :: 2.485 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 :: 122.957 Ave N Shift Values>> N :: 120.67(3.48) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.881 CA :: 58.919 CB :: 62.877 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.672 HA :: 4.507 HB2 :: 3.842 HB3 :: 3.491 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.412 Ave N Shift Values>> N :: 116.28(3.52) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.16 I 0.14 K 0.05 L 0.03 Q 0.01 C Shift Assignments>> C :: 175.187 CA :: 56.299 CB :: 26.460 CG :: 36.921 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 :: 7.720 HA :: 3.804 HB2 :: 2.069 HB3 :: 2.125 HG2 :: 2.072 HG3 :: 2.139 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.682 Ave N Shift Values>> N :: 120.67(3.48) 1.V71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.431 CA :: 64.184 CB :: 30.947 CG1 :: 20.972 CG2 :: 20.972 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 :: 7.412 HA :: 3.617 HB :: 1.502 HG11 :: -0.082(S) HG12 :: -0.082(S) HG13 :: -0.082(S) HG21 :: 0.540 HG22 :: 0.540 HG23 :: 0.540 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 :: 118.016 Ave N Shift Values>> N :: 121.14(4.54) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.42 HN Overlap>> 1.F27 1.F54 1.F27 1.F54 C Shift Assignments>> C :: 175.816 CA :: 55.641 CB :: 33.779 CG :: 24.398 CD :: 28.789 CE :: 41.520 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 :: 8.699 HA :: 4.450 HB2 :: 1.893 HB3 :: 1.663 HG2 :: 1.321 HG3 :: 1.363 HD2 :: 1.595 HD3 :: 1.647 HE2 :: 2.933 HE3 :: 2.995 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.005 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.641 CA :: 57.664 CB :: 64.240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.526 HA :: 4.577 HB2 :: 3.725 HB3 :: 3.753 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 :: 114.030 Ave N Shift Values>> N :: 116.28(3.52) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> CA :: 52.624 CE :: 18.245 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 :: 8.770 HA :: 5.559 HE1 :: 1.813 HE2 :: 1.813 HE3 :: 1.813 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 :: 122.108 Ave N Shift Values>> N :: 120.09(3.57) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 P 0.36 C Shift Assignments>> C :: 176.386 CA :: 63.396 CB :: 33.508 CG :: 24.918 CD :: 49.995 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 :: 5.067 HB2 :: 1.418 HB3 :: 2.118 HG2 :: 1.814 HG3 :: 1.665 HD2 :: 3.470 HD3 :: 3.139 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.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 170.447 CA :: 62.431 CB :: 71.998 CG2 :: 21.246 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 :: 8.083 HA :: 4.594 HB :: 3.801 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.669 Ave N Shift Values>> N :: 115.42(4.75) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.39 C 0.15 C Shift Assignments>> C :: 175.259 CA :: 55.768 CB :: 40.378 CD1 :: 132.510 CD2 :: 132.510 CE1 :: 130.950 CE2 :: 130.950 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 :: 8.907 HA :: 5.723 HB2 :: 2.277 HB3 :: 2.131 HD1 :: 6.604 HD2 :: 6.604 HE1 :: 7.362 HE2 :: 7.362 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 :: 125.114 Ave N Shift Values>> N :: 120.45(4.18) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.4 E 0.08 Q 0.06 C Shift Assignments>> C :: 173.150 CA :: 54.711 CB :: 33.110 CG :: 34.881 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 :: 8.733 HA :: 5.037 HB2 :: 1.953 HB3 :: 2.151 HG2 :: 2.413 HG3 :: 1.951 HE21 :: 6.505 HE22 :: 6.918 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.729 NE2 :: 106.701 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.37 C 0.15 C Shift Assignments>> C :: 174.841 CA :: 55.955 CB :: 41.244 CD1 :: 131.307 CD2 :: 131.307 CE1 :: 132.021 CE2 :: 132.021 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 :: 8.042 HA :: 5.546 HB2 :: 2.628 HB3 :: 2.491 HD1 :: 6.943 HD2 :: 6.943 HE1 :: 7.518 HE2 :: 7.518 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.559 Ave N Shift Values>> N :: 120.45(4.18) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 G 0.32 C 0.14 Y 0.13 C Shift Assignments>> C :: 174.768 CA :: 56.801 CB :: 44.031 CD1 :: 131.168 CD2 :: 131.168 CZ :: 127.917 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 10.002 HA :: 5.609 HB2 :: 2.641 HB3 :: 2.713 HD1 :: 6.762 HD2 :: 6.762 HZ :: 6.730 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.338 Ave N Shift Values>> N :: 120.45(4.18) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.36 G 0.02 C Shift Assignments>> C :: 176.623 CA :: 56.388 CB :: 36.282 CG :: 25.183 CD :: 29.554 CE :: 42.451 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 :: 8.877 HA :: 4.625 HB2 :: 1.688 HB3 :: 1.738 HG2 :: 1.427 HG3 :: 1.679 HD2 :: 1.659 HD3 :: 1.785 HE2 :: 3.053 HE3 :: 2.914 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.317 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 K 0.32 L 0.02 G 0.01 C Shift Assignments>> C :: 177.249 CA :: 56.190 CB :: 28.881 CG :: 25.676 CD :: 29.072 CE :: 42.059 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 :: 10.166(S) HA :: 4.007 HB2 :: 2.120 HB3 :: 1.829 HG2 :: 1.403 HG3 :: 1.490 HD2 :: 1.609 HD3 :: 1.744 HE2 :: 3.049 HE3 :: 2.976 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 :: 128.613 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 173.219 CA :: 46.155 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.369 HA2 :: 4.205 HA3 :: 3.370 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.468 Ave N Shift Values>> N :: 109.67(3.87) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 Q 0.26 C 0.24 K 0.07 E 0.02 C Shift Assignments>> C :: 174.629 CA :: 53.589 CB :: 31.002 CG :: 33.569 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 :: 7.801 HA :: 4.749 HB2 :: 2.005 HB3 :: 2.152 HG2 :: 2.397 HG3 :: 2.362 HE21 :: 7.033 HE22 :: 7.732 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.794 NE2 :: 113.260 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.49 C Shift Assignments>> C :: 177.474 CA :: 57.760 CB :: 31.347 CG :: 24.960 CD :: 29.206 CE :: 42.208 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.983 HA :: 4.016 HB2 :: 1.422 HB3 :: 1.803 HG2 :: 0.524 HG3 :: 1.104 HD2 :: 1.624 HD3 :: 1.678 HE2 :: 2.729 HE3 :: 2.803 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 :: 126.154 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 C Shift Assignments>> C :: 175.508 CA :: 61.326 CB :: 32.244 CG1 :: 19.136 CG2 :: 19.338 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 :: 9.213 HA :: 4.579 HB :: 2.462 HG11 :: 0.973 HG12 :: 0.973 HG13 :: 0.973 HG21 :: 0.659 HG22 :: 0.659 HG23 :: 0.659 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.460 Ave N Shift Values>> N :: 121.14(4.54) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.430 CA :: 45.990 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.505 HA2 :: 4.315 HA3 :: 3.758 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.979 Ave N Shift Values>> N :: 109.67(3.87) 1.E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 M 0.31 E 0.19 Q 0.04 C Shift Assignments>> C :: 174.631 CA :: 56.660 CB :: 32.809 CG :: 35.484 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 :: 8.620 HA :: 5.701(S) HB2 :: 2.184 HB3 :: 2.365 HG2 :: 2.152 HG3 :: 2.216 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.094 Ave N Shift Values>> N :: 120.67(3.48) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.37 C 0.17 HN Overlap>> 1.N51 1.N51 C Shift Assignments>> C :: 172.250 CA :: 58.403 CB :: 40.689 CD1 :: 132.643 CD2 :: 132.643 CE1 :: 131.573 CE2 :: 131.573 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.044 HA :: 5.074 HB2 :: 3.416 HB3 :: 3.516 HD1 :: 7.338 HD2 :: 7.338 HE1 :: 6.920 HE2 :: 6.920 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 :: 118.522 Ave N Shift Values>> N :: 120.45(4.18) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.843 CA :: 56.758 CB :: 65.703 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.955 HA :: 5.328 HB2 :: 3.895 HB3 :: 3.730 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.280 Ave N Shift Values>> N :: 116.28(3.52) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 G 0.23 D 0.07 F 0.07 C 0.06 Y 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 172.716 CA :: 43.745 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.160 HA2 :: 4.672 HA3 :: 3.741 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.799 Ave N Shift Values>> N :: 109.67(3.87) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C Shift Assignments>> C :: 175.307 CA :: 51.059 CB :: 17.500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.646 HA :: 4.509 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.314 Ave N Shift Values>> N :: 123.23(3.54) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 174.746 CA :: 52.106 CB :: 38.803 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 :: 7.558 HA :: 4.847 HB2 :: 2.948 HB3 :: 2.694 HD21 :: 7.303 HD22 :: 7.397 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.743 ND2 :: 113.516 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.43 C Shift Assignments>> C :: 177.805 CA :: 60.883 CB :: 32.293 CG :: 25.516 CD :: 29.429 CE :: 41.690 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 :: 8.577 HA :: 3.630 HB2 :: 1.037 HB3 :: 1.344 HG2 :: 0.652 HG3 :: 1.232 HD2 :: 1.115 HD3 :: 1.115 HE2 :: 2.660 HE3 :: 2.660 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.36 E 0.16 K 0.01 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> C :: 179.599 CA :: 60.355 CB :: 28.514 CG :: 37.190 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.398 HA :: 4.113 HB2 :: 2.142 HB3 :: 1.976 HG2 :: 2.381 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.293 Ave N Shift Values>> N :: 120.67(3.48) 1.K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 179.415 CA :: 58.839 CB :: 32.275 CG :: 24.564 CD :: 29.268 CE :: 41.966 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 :: 7.813 HA :: 3.898 HB2 :: 1.379 HB3 :: 1.025 HG2 :: 0.374(S) HG3 :: 0.778 HD2 :: 1.204 HD3 :: 1.025 HE2 :: 2.659 HE3 :: 2.551 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 :: 121.090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.31 C Shift Assignments>> C :: 176.907 CA :: 59.850 CB :: 41.317 CG :: 26.614 CD1 :: 26.638 CD2 :: 22.531 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 :: 8.041 HA :: 4.121 HB2 :: 2.283 HB3 :: 1.533 HG :: 1.532 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 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 :: 123.183 Ave N Shift Values>> N :: 121.86(3.9) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.39 E 0.17 K 0.01 C Shift Assignments>> C :: 178.024 CA :: 61.096 CB :: 29.461 CG :: 36.946 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 :: 7.860 HA :: 3.875 HB2 :: 2.252 HB3 :: 2.234 HG2 :: 2.378 HG3 :: 2.545 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 :: 117.393 Ave N Shift Values>> N :: 120.67(3.48) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 180.579 CA :: 55.461 CB :: 17.666 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.372 HA :: 4.143 HB1 :: 1.422 HB2 :: 1.422 HB3 :: 1.422 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.547 Ave N Shift Values>> N :: 123.23(3.54) 1.T100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.629 CA :: 67.413 CB :: 67.810 CG2 :: 20.595 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 :: 8.037 HA :: 3.691 HB :: 3.989 HG21 :: 0.303(S) HG22 :: 0.303(S) HG23 :: 0.303(S) 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 :: 115.367 Ave N Shift Values>> N :: 115.42(4.75) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.506 CA :: 67.105 CB :: 37.377 CG1 :: 30.611 CG2 :: 16.179 CD1 :: 15.614 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 :: 8.799 HA :: 3.877 HB :: 1.719 HG12 :: 0.789 HG13 :: 2.145 HG21 :: 0.188 HG22 :: 0.188 HG23 :: 0.188 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 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 :: 120.233 Ave N Shift Values>> N :: 121.46(4.28) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.16 D 0.08 I 0.07 L 0.05 N 0.04 E 0.01 C Shift Assignments>> C :: 176.857 CA :: 57.168 CB :: 39.089 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 :: 7.492 HA :: 4.330 HB2 :: 2.766 HB3 :: 2.746 HD21 :: 7.715 HD22 :: 6.851 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 :: 113.291 ND2 :: 112.024 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.38 I 0.08 K 0.05 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.975 CA :: 58.706 CB :: 30.086 CG :: 36.286 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 :: 7.748 HA :: 4.131 HB2 :: 2.134 HB3 :: 2.039 HG2 :: 2.384 HG3 :: 2.221 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.522 Ave N Shift Values>> N :: 120.67(3.48) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.32 L 0.13 A 0.05 C Shift Assignments>> C :: 176.665 CA :: 55.865 CB :: 44.925 CG :: 26.847 CD1 :: 22.255 CD2 :: 26.851 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 :: 7.376 HA :: 4.421 HB2 :: 1.590 HB3 :: 1.426 HG :: 1.632 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.304 HD22 :: 0.304 HD23 :: 0.304 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.687 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 66.660 CB :: 31.734 CG1 :: 21.354 CG2 :: 22.148 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 :: 7.502 HA :: 3.811 HB :: 2.151 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 1.000 HG22 :: 1.000 HG23 :: 1.000 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 :: 123.786 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 0 C Shift Results: #Consistent: 462 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 718 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.D26 HB3 = 1.171(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.0500e-07 1.A29 HB1 = 0.050(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7330e-07 1.A29 HB2 = 0.050(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7330e-07 1.A29 HB3 = 0.050(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.7330e-07 1.S32 HB2 = 2.967(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.6021e-04 1.S46 HB2 = 2.959(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.2960e-04 1.V71 HG11 = -0.082(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5201e-04 1.V71 HG12 = -0.082(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5201e-04 1.V71 HG13 = -0.082(S), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5201e-04 1.K82 H = 10.166(S), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9007e-04 1.E88 HA = 5.701(S), Expected = 4.25, Std = 0.4100, ChiSquare = 4.0161e-04 1.K96 HG2 = 0.374(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.2774e-04 1.T100 HG21 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04 1.T100 HG22 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04 1.T100 HG23 = 0.303(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.7356e-04