Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 M 0.07 E 0.05 R 0.03 C Shift Assignments>> C :: 175.350 CA :: 56.022 CB :: 29.365 CG :: 33.595 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>> HA :: 4.413 HB2 :: 2.125 HB3 :: 2.048 HG2 :: 2.406 HG3 :: 2.406 HE21 :: 7.615 HE22 :: 6.908 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>> NE2 :: 112.474 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 Q 0.09 M 0.09 K 0.09 I 0.02 C Shift Assignments>> C :: 176.206 CA :: 56.377 CB :: 30.074 CG :: 35.959 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 :: 8.716 HA :: 4.307 HB2 :: 2.076 HB3 :: 1.974 HG2 :: 2.314 HG3 :: 2.314 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 :: 123.736 Ave N Shift Values>> N :: 120.67(3.48) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 178.202 CA :: 52.598 CB :: 19.095 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.571 HA :: 4.367 HB1 :: 1.446 HB2 :: 1.446 HB3 :: 1.446 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.784 Ave N Shift Values>> N :: 123.23(3.54) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.587 CA :: 45.137 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.490 HA2 :: 4.001 HA3 :: 4.001 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.365 Ave N Shift Values>> N :: 109.67(3.87) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.691 CA :: 44.754 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.277 HA2 :: 3.988 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.403 Ave N Shift Values>> N :: 109.67(3.87) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.27 G 0.08 K 0.06 L 0.02 C Shift Assignments>> CA :: 53.808 CB :: 29.975 CG :: 26.706 CD :: 43.242 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.285 HA :: 4.686 HB2 :: 1.893 HB3 :: 1.780 HG2 :: 1.706 HG3 :: 1.706 HD2 :: 3.245 HD3 :: 3.245 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.465 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.530 CA :: 63.140 CB :: 31.931 CG :: 27.085 CD :: 50.455 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 :: 4.500 HB2 :: 2.356 HB3 :: 1.985 HG2 :: 2.096 HG3 :: 2.057 HD2 :: 3.872 HD3 :: 3.694 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.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.772 CA :: 45.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.671 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.714 Ave N Shift Values>> N :: 109.67(3.87) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.07 C 0.01 C Shift Assignments>> C :: 176.878 CA :: 51.826 CB :: 19.093 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.210 HA :: 4.449 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.980 Ave N Shift Values>> N :: 123.23(3.54) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.13 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> CA :: 54.404 CB :: 41.337 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 :: 8.269 HA :: 4.672 HB2 :: 2.774 HB3 :: 2.645 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 :: 119.649 Ave N Shift Values>> N :: 120.65(3.86) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.3 N 0.19 L 0.15 F 0.12 Y 0.11 C 0.07 K 0.02 C Shift Assignments>> CA :: 54.556 CB :: 40.218 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.593 HB2 :: 3.214 HB3 :: 3.214 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) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 E 0.21 I 0.15 M 0.03 C Shift Assignments>> CA :: 61.279 CB :: 31.121 CG :: 36.735 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>> HA :: 3.975 HB2 :: 2.494 HB3 :: 2.223 HG2 :: 2.462 HG3 :: 2.337 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) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 HN Overlap>> 1.L125 1.L125 C Shift Assignments>> CA :: 64.968 CB :: 31.059 CG1 :: 20.419 CG2 :: 21.011 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 :: 7.046 HA :: 3.756 HB :: 1.693 HG11 :: 0.715 HG12 :: 0.715 HG13 :: 0.715 HG21 :: -0.058 HG22 :: -0.058 HG23 :: -0.058 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.280 Ave N Shift Values>> N :: 121.14(4.54) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.32 F 0.24 Y 0.2 C 0.15 K 0.04 L 0.01 C Shift Assignments>> CA :: 61.445 CB :: 41.017 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.094 HB2 :: 3.238 HB3 :: 2.907 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) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.42 C 0.4 R 0.16 C Shift Assignments>> CA :: 57.405 CB :: 32.162 CG :: 25.104 CD :: 28.898 CE :: 42.131 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.062 HB2 :: 1.962 HB3 :: 1.914 HG2 :: 1.517 HG3 :: 1.662 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.053 HE3 :: 3.053 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.34 E 0.32 I 0.12 K 0.11 Q 0.07 M 0.01 C Shift Assignments>> C :: 179.607 CA :: 59.100 CB :: 29.258 CG :: 35.794 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>> HA :: 4.341 HB2 :: 2.568 HB3 :: 2.568 HG2 :: 2.705 HG3 :: 2.564 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) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.24 C 0.17 C Shift Assignments>> C :: 177.438 CA :: 62.397 CB :: 40.343 CD1 :: 131.254 CD2 :: 131.254 CE1 :: 131.170 CE2 :: 131.170 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 :: 9.121 HA :: 4.323 HB2 :: 3.258 HB3 :: 3.087 HD1 :: 7.064 HD2 :: 7.064 HE1 :: 7.046 HE2 :: 7.046 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 :: 120.772 Ave N Shift Values>> N :: 120.45(4.18) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.34 R 0.02 A 0.01 C Shift Assignments>> C :: 179.515 CA :: 57.824 CB :: 40.872 CG :: 27.273 CD1 :: 26.736 CD2 :: 21.788 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 :: 8.511 HA :: 4.150 HB2 :: 2.197 HB3 :: 1.270 HG :: 2.304 HD11 :: 1.041 HD12 :: 1.041 HD13 :: 1.041 HD21 :: 0.917 HD22 :: 0.917 HD23 :: 0.917 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.833 Ave N Shift Values>> N :: 121.86(3.9) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.2 C 0.19 N 0.1 E 0.06 D 0.06 I 0.05 L 0.03 M 0.02 C Shift Assignments>> C :: 177.917 CA :: 56.475 CB :: 38.250 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.405 HA :: 4.884 HB2 :: 3.127 HB3 :: 2.886 HD21 :: 7.691 HD22 :: 7.045 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 :: 117.708 ND2 :: 112.543 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 R 0.2 G 0.12 K 0.06 C Shift Assignments>> C :: 179.006 CA :: 60.183 CB :: 30.179 CG :: 29.204 CD :: 43.489 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.312 HA :: 4.127 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.009 HG3 :: 1.805 HD2 :: 3.500 HD3 :: 3.448 HE :: 7.557 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 :: 122.847 NE :: 83.343 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.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 HN Overlap>> 1.K68 1.K68 C Shift Assignments>> C :: 176.858 CA :: 58.946 CB :: 37.905 CD1 :: 131.237 CD2 :: 131.237 CE1 :: 130.785 CE2 :: 130.785 CZ :: 129.095 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 :: 8.439 HA :: 3.286 HB2 :: 2.632 HB3 :: 2.263 HD1 :: 6.181 HD2 :: 6.181 HE1 :: 6.883 HE2 :: 6.883 HZ :: 7.155 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 :: 121.792 Ave N Shift Values>> N :: 120.45(4.18) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 177.438 CA :: 61.546 CB :: 38.162 CD1 :: 132.242 CD2 :: 132.242 CE1 :: 118.049 CE2 :: 118.049 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 :: 8.707 HA :: 3.797 HB2 :: 3.283 HB3 :: 3.095 HD1 :: 7.159 HD2 :: 7.159 HE1 :: 6.900 HE2 :: 6.900 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 :: 120.028 Ave N Shift Values>> N :: 120.52(4.2) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 C Shift Assignments>> C :: 177.550 CA :: 59.043 CB :: 31.940 CG :: 25.142 CD :: 29.020 CE :: 42.093 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 :: 7.938 HA :: 3.863 HB2 :: 1.931 HB3 :: 1.931 HG2 :: 1.584 HG3 :: 1.482 HD2 :: 1.768 HD3 :: 1.669 HE2 :: 3.005 HE3 :: 3.005 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 :: 116.431 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.807 CA :: 61.027 CB :: 62.589 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.661 HA :: 4.333 HB2 :: 4.053 HB3 :: 4.016 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 :: 113.941 Ave N Shift Values>> N :: 116.28(3.52) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 L 0.32 A 0.04 R 0.01 HN Overlap>> 1.K89 1.K89 C Shift Assignments>> C :: 179.821 CA :: 57.369 CB :: 41.781 CG :: 25.389 CD1 :: 21.749 CD2 :: 25.482 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 :: 7.566 HA :: 3.687 HB2 :: 1.864 HB3 :: 0.898 HG :: 0.847 HD11 :: 0.224 HD12 :: 0.224 HD13 :: 0.224 HD21 :: -0.186 HD22 :: -0.186 HD23 :: -0.186 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.734 Ave N Shift Values>> N :: 121.86(3.9) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 180.737 CA :: 63.364 CB :: 37.197 CG1 :: 28.042 CG2 :: 16.891 CD1 :: 11.543 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 :: 8.086 HA :: 3.862 HB :: 1.973 HG12 :: 1.584 HG13 :: 1.202 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.727 HD12 :: 0.727 HD13 :: 0.727 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.672 Ave N Shift Values>> N :: 121.46(4.28) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.12 D 0.11 L 0.1 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 178.660 CA :: 57.197 CB :: 39.980 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 :: 9.082 HA :: 4.385 HB2 :: 2.858 HB3 :: 2.663 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 :: 122.442 Ave N Shift Values>> N :: 120.65(3.86) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 K 0.12 G 0.09 C Shift Assignments>> C :: 177.061 CA :: 56.347 CB :: 31.463 CG :: 28.462 CD :: 43.622 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.584 HA :: 4.313 HB2 :: 2.010 HB3 :: 1.769 HG2 :: 1.966 HG3 :: 1.966 HD2 :: 3.295 HD3 :: 3.238 HE :: 6.626 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 :: 115.375 NE :: 84.909 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.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.923 CA :: 46.546 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.907 HA2 :: 3.994 HA3 :: 3.920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.023 Ave N Shift Values>> N :: 109.67(3.87) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.157 CA :: 62.366 CB :: 32.180 CG1 :: 21.586 CG2 :: 21.833 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 :: 3.771 HB :: 1.752 HG11 :: 0.825 HG12 :: 0.825 HG13 :: 0.825 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 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 :: 118.743 Ave N Shift Values>> N :: 121.14(4.54) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.21 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.880 CA :: 53.322 CB :: 39.091 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.497 HA :: 4.731 HB2 :: 2.893 HB3 :: 2.852 HD21 :: 7.700 HD22 :: 7.068 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 :: 123.326 ND2 :: 113.240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.49 C Shift Assignments>> C :: 175.381 CA :: 58.528 CB :: 36.602 CD1 :: 131.030 CD2 :: 131.030 CE1 :: 131.093 CE2 :: 131.093 CZ :: 128.875 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 :: 8.794 HA :: 4.154 HB2 :: 3.281 HB3 :: 3.153 HD1 :: 7.337 HD2 :: 7.337 HE1 :: 7.042 HE2 :: 7.042 HZ :: 6.902 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 :: 126.170 Ave N Shift Values>> N :: 120.45(4.18) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C56 1.C56 C Shift Assignments>> C :: 174.892 CA :: 56.616 CB :: 64.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.699 HA :: 4.748 HB2 :: 4.136 HB3 :: 3.987 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 :: 116.015 Ave N Shift Values>> N :: 116.28(3.52) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.46 C Shift Assignments>> C :: 178.314 CA :: 59.671 CB :: 41.367 CG :: 27.104 CD1 :: 24.761 CD2 :: 23.738 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 :: 8.938 HA :: 3.861 HB2 :: 1.792 HB3 :: 1.694 HG :: 1.802 HD11 :: 1.002 HD12 :: 1.002 HD13 :: 1.002 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 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 :: 124.403 Ave N Shift Values>> N :: 121.86(3.9) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.14 L 0.12 C 0.11 I 0.04 N 0.04 K 0.03 C Shift Assignments>> C :: 177.010 CA :: 56.858 CB :: 40.160 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.572 HA :: 4.387 HB2 :: 2.689 HB3 :: 2.658 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.371 Ave N Shift Values>> N :: 120.65(3.86) 1.T36 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 :: 176.012 CA :: 65.896 CB :: 68.550 CG2 :: 23.153 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.589 HA :: 4.024 HB :: 4.291 HG21 :: 1.295 HG22 :: 1.295 HG23 :: 1.295 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 :: 116.848 Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 177.061 CA :: 65.800 CB :: 37.035 CG1 :: 28.676 CG2 :: 18.507 CD1 :: 12.799 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 :: 8.433 HA :: 3.373 HB :: 1.770 HG12 :: 1.585 HG13 :: 0.573 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.376 HD12 :: 0.376 HD13 :: 0.376 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 :: 120.728 Ave N Shift Values>> N :: 121.46(4.28) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.36 E 0.19 K 0.01 C Shift Assignments>> C :: 178.660 CA :: 60.957 CB :: 29.733 CG :: 37.085 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 :: 8.121 HA :: 3.680 HB2 :: 2.277 HB3 :: 2.173 HG2 :: 2.185 HG3 :: 2.164 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 :: 118.859 Ave N Shift Values>> N :: 120.67(3.48) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 180.452 CA :: 59.607 CB :: 32.279 CG :: 25.134 CD :: 28.877 CE :: 42.064 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 :: 7.591 HA :: 3.995 HB2 :: 2.043 HB3 :: 1.988 HG2 :: 1.522 HG3 :: 1.522 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 3.004 HE3 :: 3.004 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 :: 116.992 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.14 K 0.11 Q 0.07 C Shift Assignments>> C :: 178.864 CA :: 58.359 CB :: 28.437 CG :: 36.012 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 :: 8.688 HA :: 4.205 HB2 :: 2.379 HB3 :: 2.160 HG2 :: 2.614 HG3 :: 2.082 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 :: 117.929 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.29 A 0.03 C Shift Assignments>> C :: 178.079 CA :: 57.747 CB :: 40.253 CG :: 26.545 CD1 :: 26.451 CD2 :: 21.091 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 :: 8.974 HA :: 3.557 HB2 :: 1.847 HB3 :: 1.297 HG :: 1.262 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 HD21 :: 0.261 HD22 :: 0.261 HD23 :: 0.261 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.924 Ave N Shift Values>> N :: 121.86(3.9) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 179.373 CA :: 65.686 CB :: 37.723 CG1 :: 29.240 CG2 :: 16.895 CD1 :: 13.222 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 :: 7.884 HA :: 3.591 HB :: 1.925 HG12 :: 1.769 HG13 :: 1.083 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.902 Ave N Shift Values>> N :: 121.46(4.28) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.061 CA :: 61.559 CB :: 62.728 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.788 HA :: 4.281 HB2 :: 4.091 HB3 :: 4.054 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 :: 114.093 Ave N Shift Values>> N :: 116.28(3.52) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 177.886 CA :: 61.095 CB :: 40.513 CD1 :: 132.338 CD2 :: 132.338 CE1 :: 130.923 CE2 :: 130.923 CZ :: 128.815 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 :: 9.051 HA :: 4.338 HB2 :: 3.552 HB3 :: 2.840 HD1 :: 7.113 HD2 :: 7.113 HE1 :: 6.844 HE2 :: 6.844 HZ :: 6.959 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 :: 125.103 Ave N Shift Values>> N :: 120.45(4.18) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 K 0.19 F 0.18 Y 0.13 L 0.1 C 0.1 I 0.04 D 0.02 G 0.01 C Shift Assignments>> C :: 176.878 CA :: 59.107 CB :: 42.523 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.253 HA :: 4.614 HB2 :: 3.344 HB3 :: 2.820 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.885 Ave N Shift Values>> N :: 120.17(4.64) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 R 0.01 G 0.01 C Shift Assignments>> C :: 177.784 CA :: 58.060 CB :: 42.119 CG :: 26.294 CD1 :: 24.789 CD2 :: 23.553 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 :: 7.773 HA :: 4.185 HB2 :: 1.973 HB3 :: 1.659 HG :: 1.979 HD11 :: 1.023 HD12 :: 1.023 HD13 :: 1.023 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 123.927 Ave N Shift Values>> N :: 121.86(3.9) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.27 L 0.14 F 0.08 Y 0.06 C 0.06 K 0.01 HN Overlap>> 1.D94 1.D94 C Shift Assignments>> C :: 176.216 CA :: 53.425 CB :: 40.301 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.857 HA :: 4.922 HB2 :: 2.826 HB3 :: 2.565 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 120.65(3.86) 1.T48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 T 0.09 C Shift Assignments>> C :: 174.628 CA :: 60.766 CB :: 73.395 CG2 :: 23.718 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.141 HA :: 4.480 HB :: 4.022 HG21 :: 1.524 HG22 :: 1.524 HG23 :: 1.524 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.105 Ave N Shift Values>> N :: 115.42(4.75) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.35 R 0.08 G 0.02 A 0.01 C Shift Assignments>> C :: 177.275 CA :: 53.938 CB :: 36.517 CG :: 24.366 CD :: 28.956 CE :: 42.223 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 :: 8.754 HA :: 4.735 HB2 :: 1.940 HB3 :: 1.755 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.674 HD3 :: 1.674 HE2 :: 2.990 HE3 :: 2.990 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 :: 118.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 176.683 CA :: 46.763 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.892 HA2 :: 4.130 HA3 :: 3.850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.090 Ave N Shift Values>> N :: 109.67(3.87) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.2 C Shift Assignments>> C :: 178.660 CA :: 58.110 CB :: 32.401 CG :: 24.737 CD :: 28.533 CE :: 42.338 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 :: 9.310 HA :: 3.972 HB2 :: 1.910 HB3 :: 1.584 HG2 :: 1.864 HG3 :: 1.844 HD2 :: 1.586 HD3 :: 1.586 HE2 :: 3.206 HE3 :: 3.155 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 :: 126.155 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.43 E 0.06 L 0.01 C Shift Assignments>> C :: 177.153 CA :: 59.352 CB :: 28.416 CG :: 38.519 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 :: 8.230 HA :: 3.542 HB2 :: 2.244 HB3 :: 1.834 HG2 :: 2.932 HG3 :: 2.204 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 :: 116.565 Ave N Shift Values>> N :: 120.67(3.48) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.14 D 0.11 L 0.07 N 0.06 I 0.06 C Shift Assignments>> C :: 176.807 CA :: 56.851 CB :: 39.319 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 6.847 HA :: 4.374 HB2 :: 2.515 HB3 :: 2.165 HD21 :: 7.214 HD22 :: 7.000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.063 ND2 :: 111.978 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.3 L 0.17 R 0.13 G 0.01 C Shift Assignments>> C :: 176.980 CA :: 57.339 CB :: 28.641 CG :: 25.371 CD :: 42.407 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.471 HA :: 3.779 HB2 :: 1.852 HB3 :: 1.796 HG2 :: 1.640 HG3 :: 1.500 HD2 :: 3.029 HD3 :: 2.916 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 :: 118.553 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.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 L 0.08 K 0.01 C Shift Assignments>> C :: 177.570 CA :: 58.459 CB :: 40.126 CG :: 26.702 CD1 :: 24.653 CD2 :: 28.505 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 :: 7.848 HA :: 3.821 HB2 :: 1.795 HB3 :: 1.233 HG :: 1.310 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.718 HD22 :: 0.718 HD23 :: 0.718 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.727 Ave N Shift Values>> N :: 121.86(3.9) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 F 0.19 C 0.18 Y 0.13 K 0.04 R 0.01 G 0.01 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> C :: 175.422 CA :: 62.894 CB :: 41.844 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.751 HA :: 3.887 HB2 :: 3.399 HB3 :: 2.533 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 :: 115.995 Ave N Shift Values>> N :: 120.17(4.64) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 179.383 CA :: 61.217 CB :: 36.898 CD1 :: 133.131 CD2 :: 133.131 CE1 :: 117.886 CE2 :: 117.886 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.918 HA :: 4.154 HB2 :: 3.064 HB3 :: 2.930 HD1 :: 6.738 HD2 :: 6.738 HE1 :: 6.749 HE2 :: 6.749 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.867 Ave N Shift Values>> N :: 120.52(4.2) 1.Y58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 177.927 CA :: 58.920 CB :: 37.927 CD1 :: 131.761 CD2 :: 131.761 CE1 :: 117.945 CE2 :: 117.945 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 :: 8.336 HA :: 4.378 HB2 :: 3.105 HB3 :: 3.007 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.741 HE2 :: 6.741 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.003 Ave N Shift Values>> N :: 120.52(4.2) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.25 A 0.05 C Shift Assignments>> C :: 175.401 CA :: 55.048 CB :: 41.817 CG :: 25.724 CD1 :: 25.206 CD2 :: 22.867 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 :: 8.078 HA :: 4.127 HB2 :: 1.854 HB3 :: 1.495 HG :: 2.077 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.790 HD22 :: 0.790 HD23 :: 0.790 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 :: 114.500 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 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 :: 174.821 CA :: 45.528 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.561 HA2 :: 4.252 HA3 :: 3.664 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.642 Ave N Shift Values>> N :: 109.67(3.87) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.02 C 0.02 L 0.01 C Shift Assignments>> C :: 175.615 CA :: 51.173 CB :: 20.173 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.996 HA :: 4.411 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.391 Ave N Shift Values>> N :: 123.23(3.54) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 175.320 CA :: 59.908 CB :: 70.419 CG2 :: 21.889 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.156 HA :: 4.530 HB :: 4.425 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 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 :: 106.938 Ave N Shift Values>> N :: 115.42(4.75) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 C Shift Assignments>> C :: 176.684 CA :: 58.140 CB :: 32.037 CG :: 24.415 CD :: 29.067 CE :: 42.031 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 :: 8.628 HA :: 4.110 HB2 :: 1.860 HB3 :: 1.860 HG2 :: 1.463 HG3 :: 1.463 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 3.000 HE3 :: 3.000 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 :: 121.357 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.27 L 0.13 F 0.09 Y 0.08 C 0.07 K 0.01 C Shift Assignments>> C :: 175.167 CA :: 53.794 CB :: 40.091 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 :: 8.447 HA :: 4.571 HB2 :: 2.784 HB3 :: 2.784 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.498 Ave N Shift Values>> N :: 120.65(3.86) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 C Shift Assignments>> C :: 176.919 CA :: 52.549 CB :: 19.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.368 HA :: 4.095 HB1 :: 1.347 HB2 :: 1.347 HB3 :: 1.347 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.578 Ave N Shift Values>> N :: 123.23(3.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.764 CA :: 52.572 CB :: 19.268 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.309 HA :: 4.459 HB1 :: 1.427 HB2 :: 1.427 HB3 :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.269 Ave N Shift Values>> N :: 123.23(3.54) 1.T67 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 :: 174.291 CA :: 60.715 CB :: 70.072 CG2 :: 21.361 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.734 HA :: 4.501 HB :: 4.295 HG21 :: 1.217 HG22 :: 1.217 HG23 :: 1.217 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.751 Ave N Shift Values>> N :: 115.42(4.75) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 G 0.01 HN Overlap>> 1.F21 1.F21 C Shift Assignments>> CA :: 56.435 CB :: 32.908 CG :: 24.596 CD :: 29.117 CE :: 42.297 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 :: 8.494 HA :: 4.550 HB2 :: 1.982 HB3 :: 1.879 HG2 :: 1.493 HG3 :: 1.493 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.038 HE3 :: 3.038 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 :: 121.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.69 C 0.3 C Shift Assignments>> CA :: 61.642 CB :: 37.673 CG1 :: 27.805 CG2 :: 17.684 CD1 :: 13.393 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>> HA :: 4.352 HB :: 1.989 HG12 :: 1.502 HG13 :: 1.213 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 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) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.43 R 0.01 C Shift Assignments>> CA :: 58.616 CB :: 41.712 CG :: 26.796 CD1 :: 24.927 CD2 :: 25.139 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> HA :: 4.129 HB2 :: 1.839 HB3 :: 1.664 HG :: 1.742 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.556 CB :: 62.582 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.808 HB2 :: 3.962 HB3 :: 3.962 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.34 E 0.33 K 0.12 Q 0.1 I 0.07 R 0.01 C Shift Assignments>> C :: 176.104 CA :: 56.603 CB :: 28.140 CG :: 35.989 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>> HA :: 4.274 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.309 HG3 :: 2.309 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) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> CA :: 63.610 CB :: 33.080 CG1 :: 22.137 CG2 :: 23.451 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 :: 7.801 HA :: 4.114 HB :: 2.267 HG11 :: 1.007 HG12 :: 1.007 HG13 :: 1.007 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 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 :: 114.771 Ave N Shift Values>> N :: 121.14(4.54) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 65.537 CB :: 67.454 CG2 :: 22.564 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>> HA :: 3.775 HB :: 4.218 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 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) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 R 0.25 G 0.11 K 0.05 L 0.01 C Shift Assignments>> CA :: 61.383 CB :: 28.572 CG :: 26.774 CD :: 43.175 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>> HA :: 4.250 HB2 :: 1.856 HB3 :: 1.663 HG2 :: 2.098 HG3 :: 1.991 HD2 :: 3.247 HD3 :: 3.247 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) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 179.108 CA :: 65.570 CB :: 30.892 CG :: 27.900 CD :: 50.041 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 :: 4.492 HB2 :: 2.502 HB3 :: 1.868 HG2 :: 2.302 HG3 :: 2.035 HD2 :: 3.535 HD3 :: 3.535 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.M77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.31 C Shift Assignments>> C :: 179.413 CA :: 59.340 CB :: 32.463 CG :: 33.559 CE :: 17.312 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 :: 7.689 HA :: 4.684 HB2 :: 2.195 HB3 :: 1.900 HG2 :: 2.946 HG3 :: 2.288 HE1 :: 1.572 HE2 :: 1.572 HE3 :: 1.572 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 :: 117.629 Ave N Shift Values>> N :: 120.09(3.57) 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 :: 174.353 CA :: 61.922 CB :: 62.406 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.281 HA :: 4.231 HB2 :: 4.066 HB3 :: 3.998 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 :: 114.579 Ave N Shift Values>> N :: 116.28(3.52) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.19 C Shift Assignments>> C :: 175.809 CA :: 60.126 CB :: 30.214 CG1 :: 18.991 CG2 :: 21.361 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.999 HA :: 4.751 HB :: 2.626 HG11 :: 1.032 HG12 :: 1.032 HG13 :: 1.032 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 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 :: 111.333 Ave N Shift Values>> N :: 121.14(4.54) 1.H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.23 R 0.17 C 0.16 Q 0.06 W 0.03 H 0.03 I 0.03 E 0.01 C Shift Assignments>> C :: 174.933 CA :: 56.699 CB :: 25.836 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 :: 8.282 HA :: 4.126 HB2 :: 3.252 HB3 :: 3.252 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 :: 116.748 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.32 A 0.13 C Shift Assignments>> CA :: 54.873 CB :: 33.214 CG :: 31.639 CE :: 16.404 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 :: 8.003 HA :: 4.526 HB2 :: 2.022 HB3 :: 1.616 HG2 :: 2.739 HG3 :: 2.698 HE1 :: 2.090 HE2 :: 2.090 HE3 :: 2.090 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.069 Ave N Shift Values>> N :: 120.09(3.57) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.723 CA :: 63.092 CB :: 32.614 CG :: 27.945 CD :: 50.992 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.349 HB2 :: 2.567 HB3 :: 1.886 HG2 :: 2.152 HG3 :: 2.152 HD2 :: 4.109 HD3 :: 3.602 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 M 0.39 C 0.07 I 0.04 V 0.03 L 0.02 C Shift Assignments>> C :: 179.026 CA :: 55.876 CB :: 19.339 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.188 HA :: 3.956 HB1 :: 1.615 HB2 :: 1.615 HB3 :: 1.615 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.626 Ave N Shift Values>> N :: 123.23(3.54) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 177.458 CA :: 58.716 CB :: 32.114 CG :: 32.038 CE :: 17.860 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.310 HA :: 4.030 HB2 :: 2.115 HB3 :: 2.115 HG2 :: 2.702 HG3 :: 2.617 HE1 :: 2.156 HE2 :: 2.156 HE3 :: 2.156 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 :: 114.741 Ave N Shift Values>> N :: 120.09(3.57) 1.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.15 C Shift Assignments>> C :: 179.434 CA :: 57.903 CB :: 31.664 CG :: 25.141 CD :: 28.808 CE :: 41.902 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 :: 6.985 HA :: 4.204 HB2 :: 1.972 HB3 :: 1.972 HG2 :: 1.625 HG3 :: 1.625 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 3.012 HE3 :: 3.012 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 :: 116.520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> C :: 178.589 CA :: 66.152 CB :: 37.648 CG1 :: 28.136 CG2 :: 17.122 CD1 :: 13.886 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 :: 7.876 HA :: 3.624 HB :: 2.028 HG12 :: 0.887 HG13 :: 1.746 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 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 :: 120.617 Ave N Shift Values>> N :: 121.46(4.28) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 F 0.18 Y 0.17 C 0.15 C Shift Assignments>> CA :: 61.931 CB :: 39.716 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.643 HA :: 4.088 HB2 :: 3.260 HB3 :: 2.767 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 :: 117.368 Ave N Shift Values>> N :: 120.17(4.64) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.2 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.904 CA :: 59.667 CB :: 29.628 CG :: 36.631 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 :: 8.032 HA :: 3.948 HB2 :: 2.214 HB3 :: 2.092 HG2 :: 2.551 HG3 :: 2.274 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 :: 118.115 Ave N Shift Values>> N :: 120.67(3.48) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 R 0.1 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 180.004 CA :: 59.130 CB :: 31.565 CG :: 24.940 CD :: 28.993 CE :: 41.864 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 :: 7.526 HA :: 4.141 HB2 :: 2.097 HB3 :: 2.097 HG2 :: 1.698 HG3 :: 1.507 HD2 :: 1.721 HD3 :: 1.721 HE2 :: 3.063 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 :: 119.710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.48 A 0.02 C Shift Assignments>> C :: 178.599 CA :: 57.311 CB :: 40.959 CG :: 25.989 CD1 :: 26.211 CD2 :: 22.038 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 :: 8.420 HA :: 3.971 HB2 :: 2.134 HB3 :: 1.481 HG :: 2.062 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.641 Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 177.071 CA :: 58.678 CB :: 32.257 CG :: 25.293 CD :: 29.877 CE :: 42.013 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 :: 8.217 HA :: 3.874 HB2 :: 1.951 HB3 :: 2.300 HG2 :: 1.381 HG3 :: 1.505 HD2 :: 1.754 HD3 :: 1.754 HE2 :: 3.012 HE3 :: 3.012 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 :: 119.157 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 C Shift Assignments>> C :: 177.479 CA :: 57.350 CB :: 31.934 CG :: 24.966 CD :: 28.929 CE :: 42.139 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 :: 6.975 HA :: 4.053 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.497 HG3 :: 1.497 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 3.032 HE3 :: 3.032 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 :: 113.688 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.31 R 0.06 A 0.02 C Shift Assignments>> C :: 177.693 CA :: 56.126 CB :: 42.100 CG :: 26.813 CD1 :: 25.682 CD2 :: 22.719 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 :: 7.448 HA :: 4.299 HB2 :: 1.883 HB3 :: 1.573 HG :: 1.759 HD11 :: 0.937 HD12 :: 0.937 HD13 :: 0.937 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.142 Ave N Shift Values>> N :: 121.86(3.9) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.21 N 0.12 F 0.09 K 0.08 Y 0.07 C 0.05 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 176.196 CA :: 54.175 CB :: 41.033 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.908 HA :: 4.566 HB2 :: 2.546 HB3 :: 2.546 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.828 Ave N Shift Values>> N :: 120.65(3.86) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.224 CA :: 61.313 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 :: 8.902 HA :: 4.190 HB2 :: 4.010 HB3 :: 4.010 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 :: 122.474 Ave N Shift Values>> N :: 116.28(3.52) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.22 E 0.11 R 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.589 CA :: 58.185 CB :: 28.324 CG :: 34.374 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 :: 8.603 HA :: 3.870 HB2 :: 1.668 HB3 :: 1.433 HG2 :: 2.291 HG3 :: 2.125 HE21 :: 7.976 HE22 :: 6.692 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 :: 120.807 NE2 :: 113.114 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> C :: 174.475 CA :: 65.703 CB :: 38.250 CG1 :: 31.575 CG2 :: 16.699 CD1 :: 14.716 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 :: 7.467 HA :: 3.413 HB :: 1.741 HG12 :: 1.557 HG13 :: 0.929 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 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 :: 117.402 Ave N Shift Values>> N :: 121.46(4.28) 1.C98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 G 0.08 C 0.08 C Shift Assignments>> C :: 173.362 CA :: 61.973 CB :: 48.586 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.403 HA :: 5.071 HB2 :: 3.401 HB3 :: 3.401 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.576 Ave N Shift Values>> N :: 120.17(4.64) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.09 Q 0.08 M 0.07 I 0.03 C Shift Assignments>> CA :: 56.726 CB :: 29.979 CG :: 36.012 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 :: 7.310 HA :: 4.322 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 2.287 HG3 :: 2.287 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 :: 119.261 Ave N Shift Values>> N :: 120.67(3.48) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.3 R 0.1 G 0.03 A 0.01 C Shift Assignments>> CA :: 55.682 CB :: 42.682 CG :: 25.925 CD1 :: 26.587 CD2 :: 23.731 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.502 HA :: 4.298 HB2 :: 1.818 HB3 :: 1.037 HG :: 2.013 HD11 :: 1.028 HD12 :: 1.028 HD13 :: 1.028 HD21 :: 1.011 HD22 :: 1.011 HD23 :: 1.011 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.779 Ave N Shift Values>> N :: 121.86(3.9) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.45 R 0.04 G 0.01 C Shift Assignments>> C :: 175.310 CA :: 55.177 CB :: 35.632 CG :: 24.125 CD :: 29.179 CE :: 42.160 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.740 HA :: 4.598 HB2 :: 2.021 HB3 :: 1.718 HG2 :: 1.520 HG3 :: 1.520 HD2 :: 1.700 HD3 :: 1.700 HE2 :: 3.070 HE3 :: 3.070 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.Y102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 176.888 CA :: 59.772 CB :: 38.222 CD1 :: 133.102 CD2 :: 133.102 CE1 :: 118.280 CE2 :: 118.280 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 :: 8.744 HA :: 4.404 HB2 :: 3.164 HB3 :: 2.756 HD1 :: 7.254 HD2 :: 7.254 HE1 :: 6.833 HE2 :: 6.833 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 :: 120.448 Ave N Shift Values>> N :: 120.52(4.2) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 M 0.09 K 0.06 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.175 CA :: 56.327 CB :: 30.182 CG :: 36.388 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 :: 8.943 HA :: 4.392 HB2 :: 2.142 HB3 :: 2.056 HG2 :: 2.379 HG3 :: 2.379 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 :: 121.906 Ave N Shift Values>> N :: 120.67(3.48) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.38 R 0.11 C Shift Assignments>> C :: 176.490 CA :: 56.049 CB :: 32.900 CG :: 24.606 CD :: 28.938 CE :: 41.934 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 :: 8.584 HA :: 4.491 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 1.519 HG3 :: 1.519 HD2 :: 1.737 HD3 :: 1.737 HE2 :: 3.038 HE3 :: 3.038 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 :: 122.902 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.047 CA :: 61.509 CB :: 69.961 CG2 :: 21.725 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 :: 8.290 HA :: 4.423 HB :: 4.215 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 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 :: 116.439 Ave N Shift Values>> N :: 115.42(4.75) 1.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.26 G 0.05 R 0.03 C Shift Assignments>> C :: 175.676 CA :: 54.994 CB :: 42.997 CG :: 27.026 CD1 :: 24.537 CD2 :: 24.524 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 :: 8.493 HA :: 4.381 HB2 :: 1.692 HB3 :: 1.650 HG :: 1.566 HD11 :: 0.896 HD12 :: 0.896 HD13 :: 0.896 HD21 :: 0.896 HD22 :: 0.896 HD23 :: 0.896 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.258 Ave N Shift Values>> N :: 121.86(3.9) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.24 L 0.17 F 0.06 C 0.05 Y 0.04 K 0.03 HN Overlap>> 1.E160 1.E160 C Shift Assignments>> C :: 176.684 CA :: 52.896 CB :: 40.774 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 :: 8.499 HA :: 4.851 HB2 :: 2.886 HB3 :: 2.636 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 :: 123.915 Ave N Shift Values>> N :: 120.65(3.86) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.33 R 0.03 C Shift Assignments>> C :: 177.306 CA :: 55.966 CB :: 41.467 CG :: 27.077 CD1 :: 25.638 CD2 :: 23.600 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 :: 8.620 HA :: 4.231 HB2 :: 1.817 HB3 :: 1.710 HG :: 1.827 HD11 :: 1.087 HD12 :: 1.087 HD13 :: 1.087 HD21 :: 0.938 HD22 :: 0.938 HD23 :: 0.938 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.168 Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 178.711 CA :: 53.418 CB :: 18.596 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.252 HA :: 4.343 HB1 :: 1.516 HB2 :: 1.516 HB3 :: 1.516 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.553 Ave N Shift Values>> N :: 123.23(3.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.210 CA :: 58.639 CB :: 63.990 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.989 HA :: 4.524 HB2 :: 3.969 HB3 :: 3.929 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.098 Ave N Shift Values>> N :: 116.28(3.52) 1.V111 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 :: 174.302 CA :: 61.206 CB :: 33.427 CG1 :: 20.327 CG2 :: 21.115 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 :: 7.550 HA :: 4.238 HB :: 2.071 HG11 :: 0.928 HG12 :: 0.928 HG13 :: 0.928 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 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 :: 118.877 Ave N Shift Values>> N :: 121.14(4.54) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.33 L 0.12 F 0.06 C 0.06 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.611 CA :: 52.686 CB :: 40.289 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 :: 8.193 HA :: 4.830 HB2 :: 2.846 HB3 :: 2.567 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 :: 122.432 Ave N Shift Values>> N :: 120.65(3.86) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 L 0.31 R 0.22 G 0.06 C Shift Assignments>> C :: 178.293 CA :: 57.259 CB :: 43.119 CG :: 26.940 CD1 :: 23.056 CD2 :: 26.715 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 :: 8.646 HA :: 4.045 HB2 :: 1.486 HB3 :: 1.842 HG :: 1.918 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 HD21 :: 1.057 HD22 :: 1.057 HD23 :: 1.057 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.638 Ave N Shift Values>> N :: 121.86(3.9) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.41 K 0.08 G 0.04 C Shift Assignments>> C :: 177.723 CA :: 58.380 CB :: 29.533 CG :: 28.113 CD :: 43.091 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.046 HA :: 3.891 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.811 HG3 :: 1.722 HD2 :: 3.252 HD3 :: 3.252 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 :: 112.467 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.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.11 C Shift Assignments>> C :: 176.959 CA :: 55.816 CB :: 32.898 CG :: 25.204 CD :: 29.054 CE :: 42.007 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 :: 7.365 HA :: 4.351 HB2 :: 2.050 HB3 :: 1.786 HG2 :: 1.490 HG3 :: 1.377 HD2 :: 1.818 HD3 :: 1.717 HE2 :: 3.034 HE3 :: 3.034 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 :: 116.345 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.41 A 0.12 C Shift Assignments>> C :: 175.687 CA :: 56.317 CB :: 34.047 CG :: 33.465 CE :: 17.950 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 :: 7.185 HA :: 4.338 HB2 :: 2.071 HB3 :: 2.006 HG2 :: 2.673 HG3 :: 2.495 HE1 :: 1.940 HE2 :: 1.940 HE3 :: 1.940 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 :: 119.387 Ave N Shift Values>> N :: 120.09(3.57) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.31 K 0.12 G 0.05 C Shift Assignments>> C :: 178.680 CA :: 54.967 CB :: 30.949 CG :: 27.716 CD :: 43.154 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.830 HA :: 4.475 HB2 :: 2.173 HB3 :: 1.731 HG2 :: 1.851 HG3 :: 1.795 HD2 :: 3.277 HD3 :: 3.208 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 :: 118.930 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.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.244 CA :: 67.730 CB :: 30.904 CG1 :: 23.328 CG2 :: 20.654 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 :: 9.089 HA :: 3.274 HB :: 1.985 HG11 :: 0.985 HG12 :: 0.985 HG13 :: 0.985 HG21 :: 0.575 HG22 :: 0.575 HG23 :: 0.575 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 :: 123.410 Ave N Shift Values>> N :: 121.14(4.54) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.36 I 0.04 C 0.03 C Shift Assignments>> C :: 180.554 CA :: 55.490 CB :: 18.392 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.673 HA :: 3.875 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.201 Ave N Shift Values>> N :: 123.23(3.54) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.32 I 0.15 M 0.02 K 0.01 C Shift Assignments>> C :: 178.864 CA :: 58.607 CB :: 30.188 CG :: 37.512 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 :: 6.951 HA :: 4.029 HB2 :: 2.374 HB3 :: 2.080 HG2 :: 2.337 HG3 :: 2.206 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 :: 115.782 Ave N Shift Values>> N :: 120.67(3.48) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 L 0.42 C Shift Assignments>> C :: 178.925 CA :: 57.502 CB :: 40.514 CG :: 26.228 CD1 :: 24.207 CD2 :: 26.766 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 :: 7.651 HA :: 3.889 HB2 :: 1.741 HB3 :: 1.221 HG :: 1.671 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 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 :: 121.387 Ave N Shift Values>> N :: 121.86(3.9) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 R 0.13 C Shift Assignments>> C :: 178.874 CA :: 60.049 CB :: 32.392 CG :: 26.281 CD :: 29.624 CE :: 41.718 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 :: 8.463 HA :: 3.700 HB2 :: 1.696 HB3 :: 1.650 HG2 :: 1.226 HG3 :: 1.226 HD2 :: 1.563 HD3 :: 1.563 HE2 :: 2.969 HE3 :: 2.804 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 :: 117.133 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.23 K 0.21 R 0.13 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 178.436 CA :: 58.628 CB :: 27.777 CG :: 33.468 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 :: 7.325 HA :: 4.085 HB2 :: 2.175 HB3 :: 2.175 HG2 :: 2.482 HG3 :: 2.418 HE21 :: 7.429 HE22 :: 6.840 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 :: 118.698 NE2 :: 111.646 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I124 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.835 CA :: 65.069 CB :: 37.394 CG1 :: 28.525 CG2 :: 15.505 CD1 :: 13.668 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 :: 7.388 HA :: 3.204 HB :: 1.650 HG12 :: 0.765 HG13 :: 0.765 HG21 :: -0.217(S) HG22 :: -0.217(S) HG23 :: -0.217(S) HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.589 Ave N Shift Values>> N :: 121.46(4.28) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.38 R 0.02 HN Overlap>> 1.V13 1.V13 C Shift Assignments>> C :: 178.955 CA :: 57.929 CB :: 40.901 CG :: 27.213 CD1 :: 24.240 CD2 :: 26.875 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 :: 7.026 HA :: 3.647 HB2 :: 1.516 HB3 :: 1.813 HG :: 1.074 HD11 :: 0.908 HD12 :: 0.908 HD13 :: 0.908 HD21 :: 1.598 HD22 :: 1.598 HD23 :: 1.598 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 :: 117.304 Ave N Shift Values>> N :: 121.86(3.9) 1.H126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.34 H 0.28 C Shift Assignments>> C :: 179.085 CA :: 58.810 CB :: 28.665 CD2 :: 120.004 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 :: 8.583 HA :: 4.456 HB2 :: 3.272 HB3 :: 3.272 HD2 :: 7.276 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 :: 117.688 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.238 CA :: 61.483 CB :: 62.496 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.276 HA :: 4.253 HB2 :: 3.991 HB3 :: 3.991 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.736 Ave N Shift Values>> N :: 116.28(3.52) 1.W128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> C :: 176.124 CA :: 54.546 CB :: 29.222 CD1 :: 123.043 CE3 :: 119.530 CZ2 :: 113.549 CZ3 :: 120.505 CH2 :: 122.734 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.309 HA :: 4.714 HB2 :: 2.967 HB3 :: 2.470 HD1 :: 6.718 HE1 :: 9.718 HE3 :: 7.031 HZ2 :: 7.298 HZ3 :: 7.024 HH2 :: 7.038 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 :: 121.861 NE1 :: 125.855 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G129 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 :: 174.577 CA :: 45.580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.041 HA2 :: 4.144 HA3 :: 3.847 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.591 Ave N Shift Values>> N :: 109.67(3.87) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.29 Q 0.14 E 0.09 C Shift Assignments>> C :: 174.740 CA :: 54.452 CB :: 32.135 CG :: 34.549 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 :: 7.865 HA :: 4.701 HB2 :: 2.159 HB3 :: 1.722 HG2 :: 2.404 HG3 :: 2.292 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 :: 119.182 Ave N Shift Values>> N :: 120.67(3.48) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.34 E 0.21 Q 0.05 C Shift Assignments>> CA :: 54.865 CB :: 32.248 CG :: 35.622 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 :: 8.601 HA :: 4.475 HB2 :: 1.996 HB3 :: 1.936 HG2 :: 2.211 HG3 :: 2.211 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 :: 119.382 Ave N Shift Values>> N :: 120.67(3.48) 1.C132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 K 0.38 R 0.09 G 0.01 C Shift Assignments>> CA :: 59.874 CB :: 32.065 CG :: 25.118 CD :: 42.326 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>> HA :: 3.830 HB2 :: 1.951 HB3 :: 1.951 HG2 :: 1.631 HG3 :: 1.631 HD2 :: 3.049 HD3 :: 3.049 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 176.503 CA :: 51.807 CB :: 17.916 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.343 HB1 :: 1.368 HB2 :: 1.368 HB3 :: 1.368 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.C135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.059 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.566 HA :: 4.246 HB2 :: 2.721 HB3 :: 2.721 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.731 Ave N Shift Values>> N :: 120.17(4.64) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 L 0.27 C 0.09 M 0.01 C Shift Assignments>> C :: 176.858 CA :: 53.210 CB :: 21.546 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.208 HA :: 4.625 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.625 Ave N Shift Values>> N :: 123.23(3.54) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.34 E 0.18 Q 0.06 C Shift Assignments>> CA :: 54.100 CB :: 32.161 CG :: 35.594 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.234 HA :: 4.811 HB2 :: 1.962 HB3 :: 2.381 HG2 :: 2.367 HG3 :: 2.367 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 :: 117.468 Ave N Shift Values>> N :: 120.67(3.48) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 K 0.4 R 0.05 C Shift Assignments>> C :: 178.273 CA :: 61.430 CB :: 31.874 CG :: 25.226 CD :: 28.941 CE :: 41.849 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 :: 7.045 HA :: 4.012 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 1.375 HG3 :: 1.375 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.051 HE3 :: 3.051 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.T139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.953 CA :: 65.692 CB :: 68.520 CG2 :: 22.263 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 :: 8.491 HA :: 3.828 HB :: 4.165 HG21 :: 1.327 HG22 :: 1.327 HG23 :: 1.327 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 :: 110.622 Ave N Shift Values>> N :: 115.42(4.75) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.11 K 0.1 C 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.996 CA :: 57.324 CB :: 40.769 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.610 HA :: 4.449 HB2 :: 2.910 HB3 :: 2.694 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 :: 120.061 Ave N Shift Values>> N :: 120.65(3.86) 1.Y141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 177.499 CA :: 61.907 CB :: 39.636 CD1 :: 132.899 CD2 :: 132.899 CE1 :: 118.338 CE2 :: 118.338 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.309 HA :: 4.087 HB2 :: 3.260 HB3 :: 2.776 HD1 :: 7.047 HD2 :: 7.047 HE1 :: 6.659 HE2 :: 6.659 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.478 Ave N Shift Values>> N :: 120.52(4.2) 1.V142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.173 CA :: 67.251 CB :: 31.880 CG1 :: 23.141 CG2 :: 20.911 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 :: 8.029 HA :: 3.409 HB :: 2.145 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 118.707 Ave N Shift Values>> N :: 121.14(4.54) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.17 E 0.16 N 0.15 F 0.12 M 0.05 D 0.03 I 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 177.988 CA :: 55.749 CB :: 37.421 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.450 HA :: 4.487 HB2 :: 2.892 HB3 :: 2.892 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.067 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.32 R 0.12 C Shift Assignments>> C :: 178.538 CA :: 57.679 CB :: 41.870 CG :: 26.888 CD1 :: 22.563 CD2 :: 26.674 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 :: 7.478 HA :: 4.412 HB2 :: 1.914 HB3 :: 1.674 HG :: 1.674 HD11 :: 1.088 HD12 :: 1.088 HD13 :: 1.088 HD21 :: 1.080 HD22 :: 1.080 HD23 :: 1.080 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 :: 120.933 Ave N Shift Values>> N :: 121.86(3.9) 1.I145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 C Shift Assignments>> C :: 177.693 CA :: 66.289 CB :: 37.685 CG1 :: 31.491 CG2 :: 18.280 CD1 :: 15.876 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 :: 8.498 HA :: 3.863 HB :: 2.006 HG12 :: 1.979 HG13 :: 0.803 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.268 Ave N Shift Values>> N :: 121.46(4.28) 1.Q146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.17 K 0.16 E 0.16 I 0.09 R 0.02 HN Overlap>> 1.T159 1.T159 C Shift Assignments>> C :: 178.589 CA :: 59.248 CB :: 28.283 CG :: 34.895 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 :: 8.364 HA :: 4.130 HB2 :: 2.338 HB3 :: 2.146 HG2 :: 2.721 HG3 :: 2.383 HE21 :: 7.298 HE22 :: 6.841 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 :: 115.897 NE2 :: 110.153 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.08 I 0.07 Q 0.07 M 0.04 C Shift Assignments>> C :: 178.507 CA :: 58.721 CB :: 29.841 CG :: 35.884 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 :: 7.882 HA :: 4.162 HB2 :: 2.344 HB3 :: 2.294 HG2 :: 2.439 HG3 :: 2.311 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 :: 118.858 Ave N Shift Values>> N :: 120.67(3.48) 1.L148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.26 G 0.14 A 0.07 R 0.07 C Shift Assignments>> C :: 177.733 CA :: 55.582 CB :: 43.754 CG :: 26.301 CD1 :: 26.138 CD2 :: 21.979 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 :: 8.333 HA :: 4.325 HB2 :: 2.167 HB3 :: 1.549 HG :: 2.068 HD11 :: 1.015 HD12 :: 1.015 HD13 :: 1.015 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 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 :: 117.562 Ave N Shift Values>> N :: 121.86(3.9) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 I 0.1 A 0.05 C 0.02 C Shift Assignments>> CA :: 56.660 CB :: 16.094 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.530 HA :: 4.085 HB1 :: 1.718 HB2 :: 1.718 HB3 :: 1.718 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.298 Ave N Shift Values>> N :: 123.23(3.54) 1.P150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 178.344 CA :: 65.513 CB :: 31.037 CG :: 28.251 CD :: 50.599 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.321 HB2 :: 2.355 HB3 :: 1.749 HG2 :: 2.087 HG3 :: 1.965 HD2 :: 3.732 HD3 :: 3.559 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.K151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.45 R 0.07 C Shift Assignments>> C :: 177.387 CA :: 57.661 CB :: 32.052 CG :: 24.578 CD :: 29.484 CE :: 41.880 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 :: 7.544 HA :: 3.950 HB2 :: 1.557 HB3 :: 1.421 HG2 :: 0.773 HG3 :: 0.755 HD2 :: 1.136 HD3 :: 1.136 HE2 :: 2.822 HE3 :: 2.822 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 :: 115.877 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y152 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 175.849 CA :: 58.630 CB :: 38.382 CD1 :: 132.626 CD2 :: 132.626 CE1 :: 117.352 CE2 :: 117.352 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.124 HA :: 4.293 HB2 :: 2.349 HB3 :: 1.177(S) HD1 :: 6.472 HD2 :: 6.472 HE1 :: 6.626 HE2 :: 6.626 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.471 Ave N Shift Values>> N :: 120.52(4.2) 1.A153 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 :: 177.306 CA :: 52.708 CB :: 19.159 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.906 HA :: 4.403 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.305 Ave N Shift Values>> N :: 123.23(3.54) 1.A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.815 CA :: 52.623 CB :: 19.002 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.100 HA :: 4.394 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 :: 121.421 Ave N Shift Values>> N :: 123.23(3.54) 1.T155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.884 CA :: 61.317 CB :: 69.825 CG2 :: 21.477 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.904 HA :: 4.335 HB :: 4.198 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.673 Ave N Shift Values>> N :: 115.42(4.75) 1.H156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.32 C 0.23 C Shift Assignments>> CA :: 53.427 CB :: 28.985 CD2 :: 120.183 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 :: 8.359 HA :: 5.008 HB2 :: 3.105 HB3 :: 3.244 HD2 :: 7.252 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.254 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P157 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 :: 176.715 CA :: 62.926 CB :: 32.027 CG :: 27.218 CD :: 50.472 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 :: 4.503 HB2 :: 2.352 HB3 :: 1.960 HG2 :: 2.026 HG3 :: 2.026 HD2 :: 3.767 HD3 :: 3.615 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.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 C Shift Assignments>> C :: 176.644 CA :: 56.249 CB :: 32.902 CG :: 24.494 CD :: 29.048 CE :: 41.916 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 :: 8.597 HA :: 4.446 HB2 :: 1.902 HB3 :: 1.828 HG2 :: 1.517 HG3 :: 1.476 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.048 HE3 :: 3.048 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.066 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.Q146 1.Q146 C Shift Assignments>> C :: 174.129 CA :: 61.677 CB :: 69.700 CG2 :: 21.504 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 :: 8.267 HA :: 4.380 HB :: 4.251 HG21 :: 1.230 HG22 :: 1.230 HG23 :: 1.230 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 :: 115.855 Ave N Shift Values>> N :: 115.42(4.75) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.29 M 0.13 Q 0.11 K 0.08 I 0.01 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> C :: 175.086 CA :: 56.076 CB :: 30.325 CG :: 35.769 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 :: 8.409 HA :: 4.417 HB2 :: 2.135 HB3 :: 1.952 HG2 :: 2.289 HG3 :: 2.289 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 :: 123.954 Ave N Shift Values>> N :: 120.67(3.48) 1.L161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 R 0.08 G 0.05 C Shift Assignments>> CA :: 56.519 CB :: 43.164 CG :: 27.347 CD1 :: 23.446 CD2 :: 25.016 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 :: 7.970 HA :: 4.203 HB2 :: 1.613 HB3 :: 1.613 HG :: 1.625 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 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 :: 128.970 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 159 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 159 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 161 #Suspicious: 0 C Shift Results: #Consistent: 709 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1152 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I124 HG21 = -0.217(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5663e-04 1.I124 HG22 = -0.217(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5663e-04 1.I124 HG23 = -0.217(S), Expected = 0.77, Std = 0.2700, ChiSquare = 2.5663e-04 1.Y152 HB3 = 1.177(S), Expected = 2.84, Std = 0.3900, ChiSquare = 2.0071e-05