Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.559 CA :: 063.027 CB :: 032.289 CG :: 027.073 CD :: 049.616 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 :: 004.462 HB2 :: 001.854 HB3 :: 002.271 HG2 :: 001.956 HG3 :: 002.011 HD2 :: 003.576 HD3 :: 003.576 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.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 C Shift Assignments>> C :: 174.758 CA :: 055.945 CB :: 029.739 CD2 :: 120.087 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 :: 008.641 HA :: 004.677 HB2 :: 003.197 HB3 :: 003.197 HD2 :: 007.186 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.715 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 HN Overlap>> 1.F79 1.F79 C Shift Assignments>> C :: 175.974 CA :: 055.361 CB :: 032.993 CG :: 031.928 CE :: 016.992 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 :: 008.420 HA :: 004.500 HB2 :: 001.966 HB3 :: 002.066 HG2 :: 002.503 HG3 :: 002.565 HE1 :: 002.090 HE2 :: 002.090 HE3 :: 002.090 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.697 Ave N Shift Values>> N :: 120.09(3.57) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 M 0.07 K 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.518 CA :: 056.827 CB :: 030.071 CG :: 036.338 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 :: 008.661 HA :: 004.358 HB2 :: 001.963 HB3 :: 002.089 HG2 :: 002.312 HG3 :: 002.312 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 :: 122.717 Ave N Shift Values>> N :: 120.67(3.48) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.268 CA :: 061.583 CB :: 069.823 CG2 :: 021.640 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 :: 008.183 HA :: 004.417 HB :: 004.259 HG21 :: 001.218 HG22 :: 001.218 HG23 :: 001.218 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 :: 114.681 Ave N Shift Values>> N :: 115.42(4.75) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.15 Q 0.03 K 0.02 I 0.01 C Shift Assignments>> C :: 175.036 CA :: 056.395 CB :: 030.843 CG :: 036.407 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 :: 008.526 HA :: 004.406 HB2 :: 001.965 HB3 :: 002.137 HG2 :: 002.216 HG3 :: 002.325 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 :: 123.264 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.25 C 0.19 R 0.02 A 0.01 HN Overlap>> 1.L102 1.L102 1.R93 1.R93 C Shift Assignments>> C :: 177.062 CA :: 054.080 CB :: 044.253 CG :: 027.262 CD1 :: 024.060 CD2 :: 024.890 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 :: 008.142 HA :: 005.070 HB2 :: 001.402 HB3 :: 001.575 HG :: 001.532 HD11 :: 000.820 HD12 :: 000.820 HD13 :: 000.820 HD21 :: 000.835 HD22 :: 000.835 HD23 :: 000.835 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 :: 122.405 Ave N Shift Values>> N :: 121.86(3.9) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.321 CA :: 060.785 CB :: 039.940 CG1 :: 026.977 CG2 :: 017.263 CD1 :: 013.660 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 :: 008.622 HA :: 004.189 HB :: 001.584 HG12 :: 000.826 HG13 :: 001.344 HG21 :: 000.567 HG22 :: 000.567 HG23 :: 000.567 HD11 :: 000.491 HD12 :: 000.491 HD13 :: 000.491 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 :: 124.251 Ave N Shift Values>> N :: 121.46(4.28) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.26 E 0.13 C Shift Assignments>> C :: 175.398 CA :: 054.161 CB :: 033.269 CG :: 036.705 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 :: 008.347 HA :: 005.535 HB2 :: 001.838 HB3 :: 001.895 HG2 :: 001.932 HG3 :: 002.103 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.222 Ave N Shift Values>> N :: 120.67(3.48) 1.G11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 182.543(S) CA :: 045.433 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.550 HA2 :: 004.074 HA3 :: 004.193 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.849 Ave N Shift Values>> N :: 109.67(3.87) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.34 E 0.23 Q 0.05 C Shift Assignments>> C :: 176.422 CA :: 054.555 CB :: 032.001 CG :: 035.824 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 :: 008.372 HA :: 004.818 HB2 :: 001.923 HB3 :: 001.976 HG2 :: 001.864 HG3 :: 002.042 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 :: 119.662 Ave N Shift Values>> N :: 120.67(3.48) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 176.358 CA :: 064.293 CB :: 031.725 CG1 :: 021.289 CG2 :: 022.545 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 :: 009.497 HA :: 003.825 HB :: 002.312 HG11 :: 000.668 HG12 :: 000.668 HG13 :: 000.668 HG21 :: 000.911 HG22 :: 000.911 HG23 :: 000.911 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.991 Ave N Shift Values>> N :: 121.14(4.54) 1.V14 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 :: 175.302 CA :: 064.004 CB :: 033.159 CG1 :: 020.684 CG2 :: 022.003 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 :: 009.214 HA :: 004.078 HB :: 001.679 HG11 :: 000.957 HG12 :: 000.957 HG13 :: 000.957 HG21 :: 000.962 HG22 :: 000.962 HG23 :: 000.962 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 :: 131.834 Ave N Shift Values>> N :: 121.14(4.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.22 E 0.16 C Shift Assignments>> C :: 173.404 CA :: 055.983 CB :: 033.439 CG :: 036.438 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 :: 007.425 HA :: 004.506 HB2 :: 001.917 HB3 :: 002.042 HG2 :: 002.049 HG3 :: 002.240 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 :: 116.097 Ave N Shift Values>> N :: 120.67(3.48) 1.I16 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 :: 174.268 CA :: 061.271 CB :: 040.491 CG1 :: 028.380 CG2 :: 017.316 CD1 :: 014.784 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 :: 008.849 HA :: 004.488 HB :: 001.640 HG12 :: 000.783 HG13 :: 001.377 HG21 :: 000.779 HG22 :: 000.779 HG23 :: 000.779 HD11 :: 000.782 HD12 :: 000.782 HD13 :: 000.782 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 :: 125.262 Ave N Shift Values>> N :: 121.46(4.28) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 Q 0.26 C 0.24 K 0.06 E 0.03 C Shift Assignments>> C :: 174.172 CA :: 054.586 CB :: 031.125 CG :: 033.586 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 :: 008.857 HA :: 004.762 HB2 :: 001.864 HB3 :: 002.081 HG2 :: 002.205 HG3 :: 002.292 HE21 :: 006.776 HE22 :: 007.707 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 :: 128.276 NE2 :: 112.251 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.078 CA :: 060.502 CB :: 040.062 CG1 :: 027.478 CG2 :: 017.752 CD1 :: 012.977 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 :: 008.699 HA :: 004.415 HB :: 001.749 HG12 :: 000.919 HG13 :: 001.418 HG21 :: 000.846 HG22 :: 000.846 HG23 :: 000.846 HD11 :: 000.716 HD12 :: 000.716 HD13 :: 000.716 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 :: 125.704 Ave N Shift Values>> N :: 121.46(4.28) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 176.166 CA :: 053.983 CB :: 041.484 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 :: 008.796 HA :: 004.727 HB2 :: 002.582 HB3 :: 002.827 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.853 Ave N Shift Values>> N :: 120.65(3.86) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.37 G 0.06 K 0.06 C Shift Assignments>> C :: 176.571 CA :: 056.144 CB :: 030.292 CG :: 027.641 CD :: 043.385 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 :: 008.646 HA :: 004.412 HB2 :: 001.765 HB3 :: 001.936 HG2 :: 001.612 HG3 :: 001.696 HD2 :: 003.199 HD3 :: 003.199 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.091 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.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.876 CA :: 058.643 CB :: 063.940 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.553 HA :: 004.463 HB2 :: 003.834 HB3 :: 003.931 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 :: 117.018 Ave N Shift Values>> N :: 116.28(3.52) 1.I22 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 :: 176.678 CA :: 061.675 CB :: 038.451 CG1 :: 027.485 CG2 :: 017.666 CD1 :: 013.114 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 :: 008.107 HA :: 004.233 HB :: 001.939 HG12 :: 001.195 HG13 :: 001.489 HG21 :: 000.925 HG22 :: 000.925 HG23 :: 000.925 HD11 :: 000.876 HD12 :: 000.876 HD13 :: 000.876 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 :: 123.010 Ave N Shift Values>> N :: 121.46(4.28) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 175.420 CA :: 061.938 CB :: 069.658 CG2 :: 021.630 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 :: 008.183 HA :: 004.390 HB :: 004.241 HG21 :: 001.216 HG22 :: 001.216 HG23 :: 001.216 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 :: 116.880 Ave N Shift Values>> N :: 115.42(4.75) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.812 CA :: 045.610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.497 HA2 :: 003.881 HA3 :: 004.074 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.993 Ave N Shift Values>> N :: 109.67(3.87) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.959 CA :: 045.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.258 HA2 :: 003.900 HA3 :: 003.900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.734 Ave N Shift Values>> N :: 109.67(3.87) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 C Shift Assignments>> C :: 174.588 CA :: 055.650 CB :: 030.359 CD2 :: 119.909 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 :: 008.037 HA :: 004.722 HB2 :: 003.101 HB3 :: 003.201 HD2 :: 007.129 HE1 :: 008.111 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.060 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.15 HN Overlap>> 1.D50 1.D50 C Shift Assignments>> C :: 175.185 CA :: 056.339 CB :: 034.041 CG :: 025.197 CD :: 029.631 CE :: 042.092 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 :: 008.457 HA :: 004.519 HB2 :: 001.654 HB3 :: 001.726 HG2 :: 001.377 HG3 :: 001.489 HD2 :: 001.605 HD3 :: 001.686 HE2 :: 002.932 HE3 :: 002.932 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 :: 122.328 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.29 Q 0.17 E 0.03 C Shift Assignments>> C :: 174.566 CA :: 054.716 CB :: 032.156 CG :: 033.783 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 :: 008.347 HA :: 004.808 HB2 :: 002.015 HB3 :: 002.209 HG2 :: 002.367 HG3 :: 002.367 HE21 :: 006.836 HE22 :: 007.655 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 :: 117.883 NE2 :: 112.155 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G29 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 :: 172.338 CA :: 046.207 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.245 HA2 :: 004.200 HA3 :: 004.580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.916 Ave N Shift Values>> N :: 109.67(3.87) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.2 K 0.17 G 0.01 C Shift Assignments>> C :: 174.124 CA :: 055.650 CB :: 037.455 CG :: 025.023 CD :: 029.467 CE :: 041.974 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 :: 009.199 HA :: 005.167 HB2 :: 001.641 HB3 :: 001.641 HG2 :: 001.319 HG3 :: 001.394 HD2 :: 001.524 HD3 :: 001.604 HE2 :: 002.902 HE3 :: 002.902 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 :: 121.102 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.39 L 0.13 C Shift Assignments>> C :: 174.172 CA :: 053.108 CB :: 046.940 CG :: 027.122 CD1 :: 025.380 CD2 :: 026.732 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 :: 009.224 HA :: 005.069 HB2 :: 001.436 HB3 :: 001.926 HG :: 001.533 HD11 :: 000.942 HD12 :: 000.942 HD13 :: 000.942 HD21 :: 000.747 HD22 :: 000.747 HD23 :: 000.747 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.646 Ave N Shift Values>> N :: 121.86(3.9) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 173.905 CA :: 062.168 CB :: 068.992 CG2 :: 021.326 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 :: 009.025 HA :: 005.279 HB :: 003.990 HG21 :: 001.067 HG22 :: 001.067 HG23 :: 001.067 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 :: 123.998 Ave N Shift Values>> N :: 115.42(4.75) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.36 A 0.02 C Shift Assignments>> C :: 173.319 CA :: 057.866 CB :: 041.815 CG1 :: 027.246 CG2 :: 016.672 CD1 :: 012.840 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 :: 009.367 HA :: 005.163 HB :: 001.686 HG12 :: 001.035 HG13 :: 001.340 HG21 :: 000.774 HG22 :: 000.774 HG23 :: 000.774 HD11 :: 000.580 HD12 :: 000.580 HD13 :: 000.580 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 :: 128.220 Ave N Shift Values>> N :: 121.46(4.28) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.1 C Shift Assignments>> C :: 176.241 CA :: 055.244 CB :: 035.133 CG :: 024.799 CD :: 029.631 CE :: 042.022 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 :: 009.540 HA :: 005.158 HB2 :: 001.697 HB3 :: 001.845 HG2 :: 001.365 HG3 :: 001.365 HD2 :: 001.634 HD3 :: 001.634 HE2 :: 002.893 HE3 :: 002.893 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 :: 127.445 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 174.684 CA :: 060.505 CB :: 070.644 CG2 :: 022.026 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 :: 008.797 HA :: 004.900 HB :: 004.692 HG21 :: 001.378 HG22 :: 001.378 HG23 :: 001.378 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.186 Ave N Shift Values>> N :: 115.42(4.75) 1.T36 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 :: 174.748 CA :: 064.819 CB :: 068.725 CG2 :: 022.229 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 :: 008.628 HA :: 003.994 HB :: 004.272 HG21 :: 001.293 HG22 :: 001.293 HG23 :: 001.293 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 :: 114.502 Ave N Shift Values>> N :: 115.42(4.75) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.21 K 0.17 R 0.11 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 175.345 CA :: 054.828 CB :: 042.212 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 :: 008.376 HA :: 004.703 HB2 :: 002.672 HB3 :: 002.706 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 :: 117.391 Ave N Shift Values>> N :: 120.65(3.86) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.36 A 0.17 C Shift Assignments>> C :: 174.279 CA :: 055.294 CB :: 035.078 CG :: 030.978 CE :: 017.047 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 :: 007.769 HA :: 004.748 HB2 :: 002.009 HB3 :: 002.136 HG2 :: 002.423 HG3 :: 002.423 HE1 :: 002.089 HE2 :: 002.089 HE3 :: 002.089 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 :: 117.340 Ave N Shift Values>> N :: 120.09(3.57) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.29 M 0.18 C Shift Assignments>> C :: 175.761 CA :: 055.939 CB :: 031.815 CG :: 037.370 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 :: 008.537 HA :: 005.122 HB2 :: 001.841 HB3 :: 001.903 HG2 :: 001.936 HG3 :: 002.150 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 :: 122.904 Ave N Shift Values>> N :: 120.67(3.48) 1.T40 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 :: 171.517 CA :: 061.624 CB :: 071.557 CG2 :: 021.120 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 :: 009.025 HA :: 004.539 HB :: 003.749 HG21 :: 000.846 HG22 :: 000.846 HG23 :: 000.846 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.146 Ave N Shift Values>> N :: 115.42(4.75) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 175.516 CA :: 060.494 CB :: 039.620 CG1 :: 027.585 CG2 :: 017.973 CD1 :: 013.951 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 :: 008.257 HA :: 004.874 HB :: 001.594 HG12 :: 001.187 HG13 :: 001.524 HG21 :: 000.741 HG22 :: 000.741 HG23 :: 000.741 HD11 :: 000.817 HD12 :: 000.817 HD13 :: 000.817 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 :: 125.348 Ave N Shift Values>> N :: 121.46(4.28) 1.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 175.462 CA :: 057.083 CB :: 041.208 CD1 :: 132.776 CE1 :: 118.126 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 :: 009.551 HA :: 004.713 HB2 :: 002.602 HB3 :: 002.951 HD1 :: 007.002 HD2 :: 007.002 HE1 :: 006.649 HE2 :: 006.649 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 127.578 Ave N Shift Values>> N :: 120.52(4.2) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.08 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 175.963 CA :: 056.486 CB :: 030.130 CG :: 036.516 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 :: 008.750 HA :: 004.496 HB2 :: 001.994 HB3 :: 002.050 HG2 :: 002.221 HG3 :: 002.362 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 :: 124.071 Ave N Shift Values>> N :: 120.67(3.48) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.3 C 0.14 A 0.02 C Shift Assignments>> C :: 176.752 CA :: 053.784 CB :: 045.068 CG :: 026.154 CD1 :: 026.385 CD2 :: 023.625 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 :: 008.364 HA :: 004.682 HB2 :: 001.310 HB3 :: 001.376 HG :: 001.556 HD11 :: 000.627 HD12 :: 000.627 HD13 :: 000.627 HD21 :: 000.780 HD22 :: 000.780 HD23 :: 000.780 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 :: 122.158 Ave N Shift Values>> N :: 121.86(3.9) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.513 CA :: 043.660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 007.656 HA2 :: 003.938 HA3 :: 004.742 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.716 Ave N Shift Values>> N :: 109.67(3.87) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 I 0.12 D 0.04 L 0.03 N 0.01 E 0.01 C Shift Assignments>> C :: 176.902 CA :: 058.033 CB :: 039.035 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 :: 008.534 HA :: 004.115 HB2 :: 002.833 HB3 :: 002.833 HD21 :: 007.120 HD22 :: 007.757 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.736 ND2 :: 114.264 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.08 C Shift Assignments>> C :: 180.090 CA :: 059.696 CB :: 031.930 CG :: 025.141 CD :: 029.517 CE :: 042.114 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 :: 008.560 HA :: 004.174 HB2 :: 001.877 HB3 :: 001.935 HG2 :: 001.473 HG3 :: 001.577 HD2 :: 001.746 HD3 :: 001.746 HE2 :: 003.029 HE3 :: 003.029 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 :: 118.359 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 A 0.01 C Shift Assignments>> C :: 178.320 CA :: 058.227 CB :: 033.765 CG :: 033.188 CE :: 017.387 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 :: 008.022 HA :: 004.379 HB2 :: 001.957 HB3 :: 002.138 HG2 :: 002.556 HG3 :: 002.799 HE1 :: 001.971 HE2 :: 001.971 HE3 :: 001.971 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.818 Ave N Shift Values>> N :: 120.09(3.57) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 178.576 CA :: 066.071 CB :: 037.566 CG1 :: 030.901 CG2 :: 017.467 CD1 :: 013.296 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 :: 008.157 HA :: 003.520 HB :: 001.801 HG12 :: 000.735 HG13 :: 001.637 HG21 :: 000.831 HG22 :: 000.831 HG23 :: 000.831 HD11 :: 000.529 HD12 :: 000.529 HD13 :: 000.529 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 :: 120.064 Ave N Shift Values>> N :: 121.46(4.28) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 L 0.08 D 0.07 N 0.01 K 0.01 HN Overlap>> 1.K27 1.K27 C Shift Assignments>> C :: 179.024 CA :: 057.770 CB :: 039.927 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 :: 008.424 HA :: 004.427 HB2 :: 002.701 HB3 :: 002.833 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 :: 122.307 Ave N Shift Values>> N :: 120.65(3.86) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 175.867 CA :: 047.698 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.037 HA2 :: 003.948 HA3 :: 004.044 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.304 Ave N Shift Values>> N :: 109.67(3.87) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.26 R 0.18 G 0.01 C Shift Assignments>> C :: 179.194 CA :: 058.116 CB :: 042.087 CG :: 026.589 CD1 :: 023.661 CD2 :: 027.357 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 :: 008.486 HA :: 003.848 HB2 :: 001.418 HB3 :: 001.981 HG :: 001.894 HD11 :: 000.747 HD12 :: 000.747 HD13 :: 000.747 HD21 :: 000.785 HD22 :: 000.785 HD23 :: 000.785 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 :: 122.031 Ave N Shift Values>> N :: 121.86(3.9) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.075 CA :: 065.901 CB :: 068.904 CG2 :: 021.248 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 :: 008.098 HA :: 004.062 HB :: 004.374 HG21 :: 001.263 HG22 :: 001.263 HG23 :: 001.263 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 :: 114.257 Ave N Shift Values>> N :: 115.42(4.75) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.4 R 0.12 G 0.01 C Shift Assignments>> C :: 178.437 CA :: 059.649 CB :: 032.497 CG :: 025.215 CD :: 029.517 CE :: 042.419 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 :: 008.481 HA :: 004.071 HB2 :: 002.002 HB3 :: 002.002 HG2 :: 001.535 HG3 :: 001.535 HD2 :: 001.700 HD3 :: 001.700 HE2 :: 002.997 HE3 :: 002.997 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.926 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.31 K 0.09 Q 0.07 M 0.06 I 0.02 C Shift Assignments>> C :: 174.801 CA :: 055.357 CB :: 029.737 CG :: 036.281 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 :: 007.703 HA :: 004.374 HB2 :: 001.732 HB3 :: 002.235 HG2 :: 002.333 HG3 :: 002.333 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 :: 114.499 Ave N Shift Values>> N :: 120.67(3.48) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.29 R 0.21 G 0.01 C Shift Assignments>> C :: 175.537 CA :: 056.717 CB :: 029.244 CG :: 024.854 CD :: 029.411 CE :: 042.258 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 :: 007.748 HA :: 003.879 HB2 :: 001.832 HB3 :: 001.932 HG2 :: 001.379 HG3 :: 001.379 HD2 :: 001.687 HD3 :: 001.752 HE2 :: 003.037 HE3 :: 003.037 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.131 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.332 CA :: 063.396 CB :: 032.056 CG1 :: 023.348 CG2 :: 023.373 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 :: 007.512 HA :: 003.938 HB :: 001.778 HG11 :: 000.934 HG12 :: 000.934 HG13 :: 000.934 HG21 :: 000.937 HG22 :: 000.937 HG23 :: 000.937 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 :: 119.014 Ave N Shift Values>> N :: 121.14(4.54) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.18 L 0.16 A 0.08 C Shift Assignments>> C :: 176.571 CA :: 052.650 CB :: 046.342 CG :: 026.548 CD1 :: 023.243 CD2 :: 025.696 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 :: 009.039 HA :: 004.607 HB2 :: 001.550 HB3 :: 001.550 HG :: 001.652 HD11 :: 000.876 HD12 :: 000.876 HD13 :: 000.876 HD21 :: 000.913 HD22 :: 000.913 HD23 :: 000.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.917 Ave N Shift Values>> N :: 121.86(3.9) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.44 C 0.01 I 0.01 C Shift Assignments>> C :: 178.587 CA :: 053.870 CB :: 017.558 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.371 HA :: 003.805 HB1 :: 001.311 HB2 :: 001.311 HB3 :: 001.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.120 Ave N Shift Values>> N :: 123.23(3.54) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.228 CA :: 044.942 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 009.247 HA2 :: 003.733 HA3 :: 004.432 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.148 Ave N Shift Values>> N :: 109.67(3.87) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.23 K 0.15 F 0.11 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 174.886 CA :: 055.205 CB :: 041.319 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 :: 008.144 HA :: 004.837 HB2 :: 002.437 HB3 :: 002.944 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.158 Ave N Shift Values>> N :: 120.65(3.86) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 176.187 CA :: 061.757 CB :: 031.786 CG1 :: 021.431 CG2 :: 021.189 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 :: 008.679 HA :: 004.654 HB :: 001.721 HG11 :: 000.782 HG12 :: 000.782 HG13 :: 000.782 HG21 :: 000.846 HG22 :: 000.846 HG23 :: 000.846 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 :: 122.244 Ave N Shift Values>> N :: 121.14(4.54) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 G 0.15 I 0.08 A 0.04 C Shift Assignments>> C :: 173.745 CA :: 058.375 CB :: 043.023 CG1 :: 024.238 CG2 :: 018.096 CD1 :: 014.720 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 :: 008.718 HA :: 005.462 HB :: 001.763 HG12 :: 000.957 HG13 :: 001.207 HG21 :: 000.783 HG22 :: 000.783 HG23 :: 000.783 HD11 :: 000.598 HD12 :: 000.598 HD13 :: 000.598 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 :: 118.831 Ave N Shift Values>> N :: 121.46(4.28) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.081 CA :: 056.094 CB :: 065.761 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.830 HA :: 005.451 HB2 :: 003.656 HB3 :: 003.753 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 :: 113.261 Ave N Shift Values>> N :: 116.28(3.52) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.46 C Shift Assignments>> C :: 174.886 CA :: 060.072 CB :: 041.443 CG1 :: 026.975 CG2 :: 016.226 CD1 :: 013.615 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 :: 009.257 HA :: 004.611 HB :: 001.545 HG12 :: 000.681 HG13 :: 001.314 HG21 :: 000.488 HG22 :: 000.488 HG23 :: 000.488 HD11 :: 000.429 HD12 :: 000.429 HD13 :: 000.429 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 :: 123.674 Ave N Shift Values>> N :: 121.46(4.28) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.26 K 0.11 N 0.09 R 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.582 CA :: 052.961 CB :: 041.912 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 :: 008.227 HA :: 004.880 HB2 :: 002.442 HB3 :: 002.938 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.639 Ave N Shift Values>> N :: 120.65(3.86) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.09 C Shift Assignments>> C :: 177.723 CA :: 059.649 CB :: 032.773 CG :: 025.469 CD :: 029.590 CE :: 041.870 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 :: 008.661 HA :: 003.807 HB2 :: 001.796 HB3 :: 001.875 HG2 :: 001.362 HG3 :: 001.463 HD2 :: 001.683 HD3 :: 001.683 HE2 :: 002.929 HE3 :: 002.929 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 :: 126.722 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.32 C 0.03 I 0.01 C Shift Assignments>> C :: 179.066 CA :: 054.516 CB :: 018.840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.498 HA :: 004.248 HB1 :: 001.504 HB2 :: 001.504 HB3 :: 001.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.856 Ave N Shift Values>> N :: 123.23(3.54) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.273 CA :: 058.336 CB :: 065.485 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 007.771 HA :: 004.532 HB2 :: 003.801 HB3 :: 003.976 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 :: 110.137 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 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 :: 172.626 CA :: 045.965 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.481 HA2 :: 003.538 HA3 :: 004.038 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.788 Ave N Shift Values>> N :: 109.67(3.87) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 176.283 CA :: 057.273 CB :: 033.434 CG :: 024.908 CD :: 029.233 CE :: 042.147 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 :: 007.627 HA :: 004.138 HB2 :: 001.653 HB3 :: 001.710 HG2 :: 001.228 HG3 :: 001.323 HD2 :: 001.607 HD3 :: 001.607 HE2 :: 002.942 HE3 :: 002.942 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 :: 119.447 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 175.217 CA :: 059.855 CB :: 039.995 CG1 :: 028.047 CG2 :: 017.462 CD1 :: 013.883 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 :: 008.684 HA :: 004.765 HB :: 001.627 HG12 :: 001.009 HG13 :: 001.691 HG21 :: 000.683 HG22 :: 000.683 HG23 :: 000.683 HD11 :: 000.755 HD12 :: 000.755 HD13 :: 000.755 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 :: 129.090 Ave N Shift Values>> N :: 121.46(4.28) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.1 C Shift Assignments>> C :: 173.340 CA :: 061.427 CB :: 070.789 CG2 :: 021.208 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 :: 008.868 HA :: 004.446 HB :: 003.979 HG21 :: 001.107 HG22 :: 001.107 HG23 :: 001.107 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 :: 123.081 Ave N Shift Values>> N :: 115.42(4.75) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.24 G 0.01 C Shift Assignments>> C :: 175.675 CA :: 056.941 CB :: 032.671 CG :: 025.648 CD :: 029.858 CE :: 042.362 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 :: 009.246 HA :: 004.578 HB2 :: 001.618 HB3 :: 001.989 HG2 :: 001.297 HG3 :: 001.495 HD2 :: 001.767 HD3 :: 001.767 HE2 :: 002.977 HE3 :: 002.977 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 :: 127.006 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.07 A 0.05 G 0.01 C Shift Assignments>> C :: 177.377 CA :: 054.915 CB :: 042.366 CG :: 027.232 CD1 :: 022.788 CD2 :: 025.304 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 :: 008.942 HA :: 004.446 HB2 :: 001.394 HB3 :: 001.484 HG :: 001.482 HD11 :: 000.735 HD12 :: 000.735 HD13 :: 000.735 HD21 :: 000.733 HD22 :: 000.733 HD23 :: 000.733 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.274 Ave N Shift Values>> N :: 121.86(3.9) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.764 CA :: 045.105 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.004 HA2 :: 004.011 HA3 :: 004.080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.090 Ave N Shift Values>> N :: 109.67(3.87) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.07 K 0.05 C Shift Assignments>> C :: 175.974 CA :: 055.650 CB :: 031.670 CG :: 027.016 CD :: 043.442 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 :: 008.379 HA :: 004.652 HB2 :: 001.706 HB3 :: 001.798 HG2 :: 001.616 HG3 :: 001.616 HD2 :: 003.149 HD3 :: 003.188 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 :: 120.720 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.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.641 CA :: 058.227 CB :: 063.862 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.497 HA :: 004.383 HB2 :: 003.767 HB3 :: 003.767 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 :: 117.213 Ave N Shift Values>> N :: 116.28(3.52) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.32 C 0.23 HN Overlap>> 1.M4 1.M4 C Shift Assignments>> C :: 175.590 CA :: 058.043 CB :: 039.426 CD1 :: 132.675 CE1 :: 132.111 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 :: 008.338 HA :: 004.575 HB2 :: 003.026 HB3 :: 003.155 HD1 :: 007.242 HD2 :: 007.242 HE1 :: 007.322 HE2 :: 007.322 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 :: 122.770 Ave N Shift Values>> N :: 120.45(4.18) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.563 CA :: 052.739 CB :: 019.207 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.234 HA :: 004.235 HB1 :: 001.350 HB2 :: 001.350 HB3 :: 001.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.758 Ave N Shift Values>> N :: 123.23(3.54) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.36 G 0.07 K 0.06 C Shift Assignments>> C :: 176.539 CA :: 055.939 CB :: 030.733 CG :: 027.357 CD :: 043.385 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 :: 008.182 HA :: 004.338 HB2 :: 001.765 HB3 :: 001.884 HG2 :: 001.640 HG3 :: 001.640 HD2 :: 003.149 HD3 :: 003.149 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 :: 119.898 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.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.726 CA :: 058.694 CB :: 063.758 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 008.309 HA :: 004.384 HB2 :: 003.850 HB3 :: 003.905 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 :: 116.894 Ave N Shift Values>> N :: 116.28(3.52) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.39 G 0.06 K 0.04 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> C :: 176.017 CA :: 056.375 CB :: 030.567 CG :: 026.959 CD :: 043.304 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 :: 008.359 HA :: 004.285 HB2 :: 001.706 HB3 :: 001.785 HG2 :: 001.568 HG3 :: 001.568 HD2 :: 003.150 HD3 :: 003.150 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.457 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.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 Y 0.08 K 0.08 C 0.06 HN Overlap>> 1.E101 1.E101 C Shift Assignments>> C :: 176.134 CA :: 054.516 CB :: 040.920 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 :: 008.217 HA :: 004.544 HB2 :: 002.521 HB3 :: 002.641 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 :: 120.538 Ave N Shift Values>> N :: 120.65(3.86) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 C Shift Assignments>> C :: 175.803 CA :: 058.427 CB :: 038.746 CD1 :: 133.178 CE1 :: 118.304 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 :: 007.990 HA :: 004.472 HB2 :: 002.977 HB3 :: 003.047 HD1 :: 007.111 HD2 :: 007.111 HE1 :: 006.824 HE2 :: 006.824 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 :: 120.257 Ave N Shift Values>> N :: 120.52(4.2) 1.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.242 CA :: 054.432 CB :: 040.988 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 :: 008.203 HA :: 004.546 HB2 :: 002.639 HB3 :: 002.639 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.896 Ave N Shift Values>> N :: 120.65(3.86) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> C :: 178.171 CA :: 052.946 CB :: 018.997 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.074 HA :: 004.238 HB1 :: 001.414 HB2 :: 001.414 HB3 :: 001.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.114 Ave N Shift Values>> N :: 123.23(3.54) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.38 A 0.1 C Shift Assignments>> C :: 177.051 CA :: 055.843 CB :: 032.405 CG :: 032.259 CE :: 016.992 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 :: 008.241 HA :: 004.434 HB2 :: 002.055 HB3 :: 002.108 HG2 :: 002.527 HG3 :: 002.627 HE1 :: 002.084 HE2 :: 002.084 HE3 :: 002.084 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.053 Ave N Shift Values>> N :: 120.09(3.57) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.076 CA :: 045.428 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.260 HA2 :: 003.926 HA3 :: 003.926 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.443 Ave N Shift Values>> N :: 109.67(3.87) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 177.627 CA :: 052.805 CB :: 019.364 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 008.180 HA :: 004.285 HB1 :: 001.398 HB2 :: 001.398 HB3 :: 001.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 123.23(3.54) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.891 CA :: 054.361 CB :: 041.152 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 :: 008.412 HA :: 004.643 HB2 :: 002.654 HB3 :: 002.786 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.175 Ave N Shift Values>> N :: 120.65(3.86) 1.T92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.854 CA :: 062.205 CB :: 069.382 CG2 :: 021.645 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 :: 008.061 HA :: 004.269 HB :: 004.277 HG21 :: 001.174 HG22 :: 001.174 HG23 :: 001.174 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 :: 114.757 Ave N Shift Values>> N :: 115.42(4.75) 1.R93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.4 G 0.07 K 0.03 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 176.134 CA :: 056.748 CB :: 030.528 CG :: 026.959 CD :: 043.404 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 :: 008.179 HA :: 004.211 HB2 :: 001.636 HB3 :: 001.636 HG2 :: 001.469 HG3 :: 001.469 HD2 :: 003.084 HD3 :: 003.084 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.503 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.F94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.38 C 0.2 C Shift Assignments>> C :: 175.473 CA :: 057.561 CB :: 039.530 CD1 :: 131.297 CE1 :: 131.547 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 :: 008.159 HA :: 004.697 HB2 :: 002.986 HB3 :: 003.145 HD1 :: 007.234 HD2 :: 007.234 HE1 :: 007.326 HE2 :: 007.326 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.274 Ave N Shift Values>> N :: 120.45(4.18) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.537 CA :: 062.047 CB :: 032.993 CG1 :: 020.731 CG2 :: 021.162 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 :: 007.939 HA :: 004.065 HB :: 001.992 HG11 :: 000.898 HG12 :: 000.898 HG13 :: 000.898 HG21 :: 000.889 HG22 :: 000.889 HG23 :: 000.889 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 :: 122.058 Ave N Shift Values>> N :: 121.14(4.54) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.26 C 0.23 E 0.08 M 0.06 R 0.02 C Shift Assignments>> C :: 175.462 CA :: 055.805 CB :: 029.369 CG :: 033.950 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 :: 008.423 HA :: 004.291 HB2 :: 001.988 HB3 :: 002.080 HG2 :: 002.358 HG3 :: 002.358 HE21 :: 006.885 HE22 :: 007.575 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 :: 124.183 NE2 :: 112.573 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.22 L 0.16 Q 0.15 C 0.14 H 0.09 K 0.09 E 0.07 I 0.03 M 0.01 C Shift Assignments>> C :: 172.807 CA :: 056.472 CB :: 027.534 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 008.489 HA :: 004.406 HB2 :: 002.886 HB3 :: 002.931 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 :: 122.508 Ave N Shift Values>> N :: 120.17(4.64) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> C :: 177.072 CA :: 063.647 CB :: 032.002 CG :: 027.439 CD :: 050.922 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 :: 004.412 HB2 :: 001.923 HB3 :: 002.310 HG2 :: 002.004 HG3 :: 002.038 HD2 :: 003.766 HD3 :: 003.766 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.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.07 M 0.05 I 0.05 Q 0.05 C Shift Assignments>> C :: 177.307 CA :: 057.339 CB :: 029.915 CG :: 036.354 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 :: 008.640 HA :: 004.242 HB2 :: 001.987 HB3 :: 002.029 HG2 :: 002.307 HG3 :: 002.307 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 :: 120.910 Ave N Shift Values>> N :: 120.67(3.48) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.449 CA :: 045.447 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 008.391 HA2 :: 003.946 HA3 :: 003.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.518 Ave N Shift Values>> N :: 109.67(3.87) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.09 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.D84 1.D84 C Shift Assignments>> C :: 176.976 CA :: 056.761 CB :: 030.236 CG :: 036.394 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 :: 008.194 HA :: 004.268 HB2 :: 001.946 HB3 :: 002.061 HG2 :: 002.246 HG3 :: 002.246 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 :: 120.515 Ave N Shift Values>> N :: 120.67(3.48) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.31 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.R105 1.R105 1.L8 1.L8 C Shift Assignments>> C :: 177.734 CA :: 055.827 CB :: 042.162 CG :: 026.821 CD1 :: 023.585 CD2 :: 025.002 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 :: 008.212 HA :: 004.256 HB2 :: 001.584 HB3 :: 001.687 HG :: 001.688 HD11 :: 000.878 HD12 :: 000.878 HD13 :: 000.878 HD21 :: 000.937 HD22 :: 000.937 HD23 :: 000.937 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 :: 122.383 Ave N Shift Values>> N :: 121.86(3.9) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.09 M 0.04 R 0.03 C Shift Assignments>> C :: 176.038 CA :: 055.939 CB :: 029.134 CG :: 034.064 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 :: 008.254 HA :: 004.303 HB2 :: 001.989 HB3 :: 002.088 HG2 :: 002.366 HG3 :: 002.366 HE21 :: 006.895 HE22 :: 007.567 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.990 NE2 :: 112.599 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 176.507 CA :: 056.405 CB :: 033.048 CG :: 024.970 CD :: 029.134 CE :: 042.135 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 :: 008.171 HA :: 004.285 HB2 :: 001.758 HB3 :: 001.831 HG2 :: 001.432 HG3 :: 001.432 HD2 :: 001.696 HD3 :: 001.696 HE2 :: 002.994 HE3 :: 002.994 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 :: 122.124 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.08 K 0.05 HN Overlap>> 1.R83 1.R83 1.L102 1.L102 C Shift Assignments>> C :: 176.123 CA :: 056.183 CB :: 030.898 CG :: 027.414 CD :: 043.556 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 :: 008.288 HA :: 004.329 HB2 :: 001.794 HB3 :: 001.859 HG2 :: 001.645 HG3 :: 001.645 HD2 :: 003.188 HD3 :: 003.188 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.402 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.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> C :: 176.017 CA :: 056.506 CB :: 032.984 CG :: 024.799 CD :: 029.119 CE :: 042.135 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 :: 008.449 HA :: 004.396 HB2 :: 001.782 HB3 :: 001.891 HG2 :: 001.462 HG3 :: 001.462 HD2 :: 001.703 HD3 :: 001.703 HE2 :: 003.002 HE3 :: 003.002 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 :: 123.898 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 179.226 CA :: 063.204 CB :: 070.781 CG2 :: 021.902 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 :: 007.828 HA :: 004.153 HB :: 004.249 HG21 :: 001.167 HG22 :: 001.167 HG23 :: 001.167 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.015 Ave N Shift Values>> N :: 115.42(4.75) ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 107 #Suspicious: 0 C Shift Results: #Consistent: 458 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 755 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 109 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G11 C = 182.543(S), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9633e-06