Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.453 CA :: 63.430 CB :: 32.262 CG :: 27.789 CD :: 49.706 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 :: 4.485 HB2 :: 2.311 HB3 :: 1.955 HG2 :: 2.151 HG3 :: 1.857 HD2 :: 3.576 HD3 :: 3.598 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.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.622 CA :: 45.289 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.675 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 :: 110.177 Ave N Shift Values>> N :: 109.67(3.87) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G56 1.G56 C Shift Assignments>> C :: 174.327 CA :: 45.334 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.911 Ave N Shift Values>> N :: 109.67(3.87) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.02 HN Overlap>> 1.A57 1.Q72 1.A57 1.Q72 C Shift Assignments>> C :: 178.321 CA :: 53.090 CB :: 19.084 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.321 HA :: 4.768 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.164 Ave N Shift Values>> N :: 123.23(3.54) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.33 K 0.09 Q 0.07 M 0.05 I 0.04 C Shift Assignments>> C :: 176.750 CA :: 57.338 CB :: 29.789 CG :: 36.084 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 :: 8.541 HA :: 4.202 HB2 :: 1.969 HB3 :: 2.039 HG2 :: 2.288 HG3 :: 2.288 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 :: 119.864 Ave N Shift Values>> N :: 120.67(3.48) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.01 C Shift Assignments>> C :: 178.186 CA :: 52.890 CB :: 18.821 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.134 HA :: 4.273 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.937 Ave N Shift Values>> N :: 123.23(3.54) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.34 A 0.02 G 0.01 R 0.01 C Shift Assignments>> C :: 177.899 CA :: 55.909 CB :: 42.189 CG :: 25.267 CD1 :: 23.348 CD2 :: 25.328 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 :: 8.022 HA :: 4.219 HB2 :: 1.668 HB3 :: 1.556 HG :: 0.890 HD11 :: 0.841 HD12 :: 0.841 HD13 :: 0.841 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 120.480 Ave N Shift Values>> N :: 121.86(3.9) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.07 I 0.05 M 0.05 Q 0.05 HN Overlap>> 1.D60 1.D60 C Shift Assignments>> C :: 177.095 CA :: 57.341 CB :: 29.863 CG :: 36.362 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.264 HA :: 4.218 HB2 :: 2.035 HB3 :: 1.979 HG2 :: 2.280 HG3 :: 2.235 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.560 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.32 A 0.03 G 0.01 C Shift Assignments>> C :: 177.469 CA :: 55.628 CB :: 42.235 CG :: 25.054 CD1 :: 23.213 CD2 :: 23.768 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 :: 8.067 HA :: 4.352 HB2 :: 1.637 HB3 :: 1.739 HG :: 0.887 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.830 HD22 :: 0.830 HD23 :: 0.830 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 :: 121.643 Ave N Shift Values>> N :: 121.86(3.9) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.33 R 0.17 G 0.01 A 0.01 C Shift Assignments>> C :: 177.414 CA :: 55.504 CB :: 42.483 CG :: 28.474 CD1 :: 25.282 CD2 :: 23.380 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 :: 8.018 HA :: 4.383 HB2 :: 1.747 HB3 :: 1.550 HG :: 1.568 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 120.835 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.36 M 0.17 Q 0.03 K 0.02 I 0.01 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 175.256 CA :: 56.278 CB :: 30.996 CG :: 36.476 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 :: 8.253 HA :: 4.373 HB2 :: 1.904 HB3 :: 2.049 HG2 :: 2.301 HG3 :: 2.213 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 :: 118.455 Ave N Shift Values>> N :: 120.67(3.48) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 C Shift Assignments>> C :: 173.257 CA :: 55.002 CB :: 31.995 CD2 :: 119.953 CE1 :: 138.364 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 :: 8.008 HA :: 4.993 HB2 :: 2.828 HB3 :: 2.641 HD2 :: 7.147 HE1 :: 8.071 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 :: 117.075 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.15 R 0.11 K 0.1 E 0.09 H 0.09 M 0.07 Q 0.04 P 0.01 I 0.01 C Shift Assignments>> C :: 178.563 CA :: 59.749 CB :: 31.639 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.828 HA :: 4.116 HB2 :: 3.246 HB3 :: 3.137 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 :: 123.591 Ave N Shift Values>> N :: 120.17(4.64) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 172.621 CA :: 47.028 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.243 HA2 :: 4.056 HA3 :: 3.732 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.917 Ave N Shift Values>> N :: 109.67(3.87) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.847 CA :: 64.888 CB :: 33.205 CG1 :: 20.674 CG2 :: 21.538 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 :: 9.684 HA :: 4.045 HB :: 2.307 HG11 :: 1.010 HG12 :: 1.010 HG13 :: 1.010 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.182 Ave N Shift Values>> N :: 121.14(4.54) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 V 0.19 K 0.13 R 0.09 M 0.07 H 0.07 E 0.06 Q 0.04 P 0.02 C Shift Assignments>> C :: 176.425 CA :: 59.792 CB :: 32.252 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.839 HA :: 4.795 HB2 :: 3.279 HB3 :: 2.943 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.053 Ave N Shift Values>> N :: 120.17(4.64) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 L 0.22 R 0.19 G 0.08 K 0.04 HN Overlap>> 1.C32 1.C32 C Shift Assignments>> C :: 175.560 CA :: 58.463 CB :: 26.957 CG :: 27.456 CD :: 43.318 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 :: 7.506 HA :: 4.232 HB2 :: 2.214 HB3 :: 2.052 HG2 :: 1.490 HG3 :: 1.514 HD2 :: 3.147 HD3 :: 3.101 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 :: 114.757 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.41 M 0.07 I 0.05 K 0.03 Q 0.01 C Shift Assignments>> C :: 177.096 CA :: 57.010 CB :: 30.285 CG :: 37.026 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 :: 8.635 HA :: 4.347 HB2 :: 1.943 HB3 :: 1.943 HG2 :: 2.374 HG3 :: 2.392 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.362 Ave N Shift Values>> N :: 120.67(3.48) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.39 K 0.08 G 0.04 C Shift Assignments>> C :: 177.164 CA :: 56.840 CB :: 30.131 CG :: 27.515 CD :: 43.135 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 :: 8.820 HA :: 3.823 HB2 :: 1.655 HB3 :: 1.655 HG2 :: 1.427 HG3 :: 1.504 HD2 :: 3.091 HD3 :: 3.091 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 :: 121.645 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.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.45 A 0.03 R 0.02 C Shift Assignments>> C :: 175.544 CA :: 55.066 CB :: 40.578 CG :: 28.410 CD1 :: 26.249 CD2 :: 23.348 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 :: 8.238 HA :: 4.162 HB2 :: 1.544 HB3 :: 1.023 HG :: 1.544 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 HD21 :: 0.661 HD22 :: 0.661 HD23 :: 0.661 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.102 Ave N Shift Values>> N :: 121.86(3.9) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.24 K 0.08 R 0.06 C Shift Assignments>> C :: 174.632 CA :: 53.679 CB :: 30.760 CG :: 30.637 CD :: 43.418 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 :: 7.318 HA :: 4.636 HB2 :: 2.055 HB3 :: 2.054 HG2 :: 1.623 HG3 :: 1.613 HD2 :: 3.215 HD3 :: 3.197 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.436 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.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 179.672 CA :: 66.372 CB :: 31.907 CG :: 28.365 CD :: 50.434 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 :: 4.087 HB2 :: 1.912 HB3 :: 2.304 HG2 :: 1.868 HG3 :: 2.147 HD2 :: 3.657 HD3 :: 3.764 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.28 E 0.27 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.651 CA :: 59.164 CB :: 28.319 CG :: 36.700 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.904 HA :: 4.234 HB2 :: 2.041 HB3 :: 2.079 HG2 :: 2.292 HG3 :: 2.340 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 :: 117.617 Ave N Shift Values>> N :: 120.67(3.48) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.28 K 0.23 L 0.05 C Shift Assignments>> C :: 175.734 CA :: 54.993 CB :: 29.509 CG :: 27.042 CD :: 41.558 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 :: 7.870 HA :: 4.362 HB2 :: 2.471 HB3 :: 1.861 HG2 :: 1.612 HG3 :: 1.859 HD2 :: 3.275 HD3 :: 3.275 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 :: 116.895 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.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 K 0.1 I 0.08 Q 0.05 C Shift Assignments>> C :: 172.256 CA :: 56.401 CB :: 28.311 CG :: 36.408 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 :: 8.396 HA :: 4.017 HB2 :: 2.223 HB3 :: 2.014 HG2 :: 2.225 HG3 :: 2.225 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.848 Ave N Shift Values>> N :: 120.67(3.48) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.738 CA :: 63.009 CB :: 32.896 CG :: 27.176 CD :: 50.488 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 :: 4.433 HB2 :: 1.946 HB3 :: 2.300 HG2 :: 2.016 HG3 :: 1.919 HD2 :: 3.803 HD3 :: 3.561 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.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.35 K 0.15 G 0.04 C Shift Assignments>> C :: 174.066 CA :: 53.753 CB :: 32.767 CG :: 26.998 CD :: 42.673 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 :: 8.907 HA :: 4.876 HB2 :: 1.605 HB3 :: 1.757 HG2 :: 1.865 HG3 :: 1.737 HD2 :: 3.141 HD3 :: 3.141 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 :: 122.197 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.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.26 C 0.18 R 0.04 A 0.01 HN Overlap>> 1.E80 1.C37 1.E80 1.C37 C Shift Assignments>> C :: 175.895 CA :: 53.954 CB :: 44.165 CG :: 26.715 CD1 :: 23.898 CD2 :: 25.912 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 :: 8.772 HA :: 4.818 HB2 :: 1.681 HB3 :: 0.958 HG :: 1.381 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 123.995 Ave N Shift Values>> N :: 121.86(3.9) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 L 0.22 R 0.16 G 0.01 C Shift Assignments>> C :: 177.403 CA :: 55.455 CB :: 42.188 CG :: 29.632 CD1 :: 24.694 CD2 :: 24.558 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 :: 8.816 HA :: 4.646 HB2 :: 2.138 HB3 :: 2.125 HG :: 1.773 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 HD21 :: 0.966 HD22 :: 0.966 HD23 :: 0.966 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 130.922 Ave N Shift Values>> N :: 121.86(3.9) 1.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.314 CA :: 65.216 CB :: 31.405 CG :: 28.520 CD :: 50.849 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 :: 4.383 HB2 :: 2.377 HB3 :: 2.069 HG2 :: 2.164 HG3 :: 2.129 HD2 :: 3.965 HD3 :: 3.556 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.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 H 0.16 C 0.15 R 0.15 Q 0.14 K 0.11 M 0.05 I 0.02 V 0.01 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 174.401 CA :: 57.456 CB :: 29.977 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.462 HA :: 4.298 HB2 :: 2.944 HB3 :: 2.615 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 :: 114.820 Ave N Shift Values>> N :: 120.17(4.64) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 L 0.14 A 0.03 C Shift Assignments>> C :: 176.104 CA :: 56.865 CB :: 37.143 CG :: 26.990 CD1 :: 25.286 CD2 :: 22.588 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 :: 8.368 HA :: 3.774 HB2 :: 2.068 HB3 :: 1.514 HG :: 1.382 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 114.599 Ave N Shift Values>> N :: 121.86(3.9) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 H 0.46 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 173.401 CA :: 57.828 CB :: 31.834 CD2 :: 118.686 CE1 :: 138.235 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 :: 7.384 HA :: 4.898 HB2 :: 3.415 HB3 :: 3.019 HD2 :: 7.314 HE1 :: 7.828 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 :: 118.772 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.6 T 0.39 C Shift Assignments>> C :: 173.371 CA :: 56.977 CB :: 67.131 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.688 HA :: 5.800(S) HB2 :: 3.643 HB3 :: 3.589 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.193 Ave N Shift Values>> N :: 116.28(3.52) 1.A36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.41 A 0.38 C 0.16 K 0.02 C Shift Assignments>> C :: 175.978 CA :: 50.585 CB :: 22.904 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.621 HA :: 5.797(S) HB1 :: 1.255 HB2 :: 1.255 HB3 :: 1.255 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.246 Ave N Shift Values>> N :: 123.23(3.54) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 R 0.14 E 0.13 H 0.11 K 0.09 V 0.08 M 0.07 Q 0.06 I 0.02 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 177.823 CA :: 59.231 CB :: 31.095 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.796 HA :: 3.876 HB2 :: 3.297 HB3 :: 3.426 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 :: 124.021 Ave N Shift Values>> N :: 120.17(4.64) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 177.831 CA :: 63.790 CB :: 62.701 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.029 HA :: 4.009 HB2 :: 4.174 HB3 :: 4.174 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.343 Ave N Shift Values>> N :: 116.28(3.52) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.3 C 0.02 I 0.01 C Shift Assignments>> C :: 179.252 CA :: 54.105 CB :: 18.629 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.078 HA :: 4.223 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.451 Ave N Shift Values>> N :: 123.23(3.54) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 I 0.24 V 0.18 P 0.13 E 0.03 R 0.03 H 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.576 CA :: 62.241 CB :: 29.955 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.489 HA :: 4.104 HB2 :: 2.868 HB3 :: 2.950 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 :: 117.820 Ave N Shift Values>> N :: 120.17(4.64) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.27 R 0.09 G 0.04 HN Overlap>> 1.F74 1.H34 1.F74 1.H34 C Shift Assignments>> C :: 177.264 CA :: 55.569 CB :: 43.028 CG :: 27.020 CD1 :: 24.316 CD2 :: 25.435 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 :: 7.348 HA :: 4.188 HB2 :: 1.718 HB3 :: 1.672 HG :: 1.698 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 HD21 :: 0.887 HD22 :: 0.887 HD23 :: 0.887 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 :: 118.867 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.489 CA :: 44.628 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.825 HA2 :: 4.076 HA3 :: 4.069 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.132 Ave N Shift Values>> N :: 109.67(3.87) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 P 0.27 C Shift Assignments>> C :: 176.309 CA :: 62.476 CB :: 34.780 CG :: 27.305 CD :: 50.584 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 :: 4.412 HB2 :: 2.377 HB3 :: 2.308 HG2 :: 2.011 HG3 :: 1.941 HD2 :: 3.978 HD3 :: 3.556 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.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 177.514 CA :: 52.396 CB :: 19.259 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.604 HA :: 4.382 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.927 Ave N Shift Values>> N :: 123.23(3.54) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 V 0.13 I 0.12 M 0.1 T 0.02 C 0.01 C Shift Assignments>> C :: 177.651 CB :: 19.289 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.310 HA :: 4.296 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.123 Ave N Shift Values>> N :: 123.23(3.54) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> C :: 175.932 CA :: 62.698 CB :: 34.196 CG :: 27.206 CD :: 50.723 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 :: 4.428 HB2 :: 2.315 HB3 :: 2.167 HG2 :: 2.015 HG3 :: 1.921 HD2 :: 3.633 HD3 :: 3.976 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.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.626 CA :: 52.748 CB :: 19.285 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.531 HA :: 4.355 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.665 Ave N Shift Values>> N :: 123.23(3.54) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 I 0.13 V 0.13 M 0.1 T 0.02 C 0.01 HN Overlap>> 1.A49 1.A58 1.A49 1.A58 C Shift Assignments>> C :: 177.663 CB :: 19.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.314 HA :: 4.238 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.863 Ave N Shift Values>> N :: 123.23(3.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 HN Overlap>> 1.A48 1.A48 1.A58 1.A58 C Shift Assignments>> C :: 177.653 CA :: 52.786 CB :: 19.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.273 HA :: 4.275 HB1 :: 1.387 HB2 :: 1.387 HB3 :: 1.387 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.881 Ave N Shift Values>> N :: 123.23(3.54) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> C :: 175.493 CA :: 53.252 CB :: 38.894 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 :: 8.368 HA :: 4.744 HB2 :: 2.876 HB3 :: 2.828 HD21 :: 6.959 HD22 :: 7.415 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.199 ND2 :: 111.882 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.825 CA :: 58.711 CB :: 63.866 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.301 HA :: 4.472 HB2 :: 3.949 HB3 :: 3.879 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 :: 116.080 Ave N Shift Values>> N :: 116.28(3.52) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N50 1.N50 C Shift Assignments>> C :: 175.106 CA :: 58.641 CB :: 63.933 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.377 HA :: 4.485 HB2 :: 3.944 HB3 :: 3.876 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.300 Ave N Shift Values>> N :: 116.28(3.52) 1.G53 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 :: 174.085 CA :: 45.524 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.347 HA2 :: 3.998 HA3 :: 3.998 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.674 Ave N Shift Values>> N :: 109.67(3.87) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.D60 1.D60 C Shift Assignments>> C :: 177.054 CA :: 54.319 CB :: 41.289 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 :: 8.235 HA :: 4.624 HB2 :: 2.684 HB3 :: 2.684 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 :: 120.415 Ave N Shift Values>> N :: 120.65(3.86) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.038 CA :: 45.709 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.482 HA2 :: 3.964 HA3 :: 3.964 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.751 Ave N Shift Values>> N :: 109.67(3.87) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G4 1.G4 C Shift Assignments>> C :: 174.120 CA :: 45.319 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.304 HA2 :: 3.935 HA3 :: 3.935 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.849 Ave N Shift Values>> N :: 109.67(3.87) 1.A57 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 HN Overlap>> 1.A5 1.A5 C Shift Assignments>> C :: 177.681 CA :: 52.507 CB :: 19.323 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.242 HA :: 4.325 HB1 :: 1.383 HB2 :: 1.383 HB3 :: 1.383 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.210 Ave N Shift Values>> N :: 123.23(3.54) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 HN Overlap>> 1.A48 1.A49 1.A48 1.A49 C Shift Assignments>> C :: 178.396 CA :: 52.663 CB :: 19.258 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297 HA :: 4.293 HB1 :: 1.385 HB2 :: 1.385 HB3 :: 1.385 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.836 Ave N Shift Values>> N :: 123.23(3.54) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.107 CA :: 45.434 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.237 HA2 :: 3.932 HA3 :: 3.932 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.882 Ave N Shift Values>> N :: 109.67(3.87) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.E9 1.E9 1.D54 1.D54 C Shift Assignments>> C :: 176.691 CA :: 54.558 CB :: 41.231 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 :: 8.211 HA :: 4.573 HB2 :: 2.606 HB3 :: 2.586 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 :: 120.515 Ave N Shift Values>> N :: 120.65(3.86) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.198 CA :: 45.373 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.360 HA2 :: 4.025 HA3 :: 4.025 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.438 Ave N Shift Values>> N :: 109.67(3.87) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.574 CA :: 62.242 CB :: 70.754 CG2 :: 21.979 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 :: 8.097 HA :: 4.551 HB :: 4.240 HG21 :: 1.194 HG22 :: 1.194 HG23 :: 1.194 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.042 Ave N Shift Values>> N :: 115.42(4.75) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 175.100 CA :: 60.941 CB :: 34.599 CG1 :: 20.173 CG2 :: 21.785 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 :: 8.601 HA :: 4.877 HB :: 1.836 HG11 :: 0.774 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.648 HG22 :: 0.648 HG23 :: 0.648 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.731 Ave N Shift Values>> N :: 121.14(4.54) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 173.661 CA :: 60.792 CB :: 35.580 CG1 :: 21.091 CG2 :: 21.169 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 :: 8.987 HA :: 4.251 HB :: 1.899 HG11 :: 0.784 HG12 :: 0.784 HG13 :: 0.784 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.388 Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 K 0.1 F 0.05 C 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.211 CA :: 53.069 CB :: 41.608 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 :: 8.313 HA :: 4.778 HB2 :: 2.408 HB3 :: 2.144 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.348 Ave N Shift Values>> N :: 120.65(3.86) 1.C66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.15 C 0.15 M 0.15 K 0.12 E 0.12 Q 0.09 V 0.01 HN Overlap>> 1.A91 1.A91 C Shift Assignments>> C :: 176.447 CA :: 56.594 CB :: 31.330 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.313 HA :: 4.315 HB2 :: 2.939 HB3 :: 3.135 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 :: 125.640 Ave N Shift Values>> N :: 120.17(4.64) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.713 CA :: 63.912 CB :: 32.331 CG :: 27.118 CD :: 50.167 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 :: 4.417 HB2 :: 1.988 HB3 :: 1.891 HG2 :: 1.706 HG3 :: 2.020 HD2 :: 3.796 HD3 :: 3.634 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.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.027 CA :: 65.032 CB :: 32.791 CG1 :: 19.592 CG2 :: 21.371 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 :: 9.294 HA :: 3.749 HB :: 1.294 HG11 :: 0.321 HG12 :: 0.321 HG13 :: 0.321 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.852 Ave N Shift Values>> N :: 121.14(4.54) 1.C69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 E 0.17 R 0.14 H 0.14 Q 0.12 K 0.1 M 0.04 I 0.04 V 0.02 C Shift Assignments>> C :: 176.202 CA :: 58.436 CB :: 29.980 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.440 HA :: 4.304 HB2 :: 2.951 HB3 :: 2.611 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 :: 114.553 Ave N Shift Values>> N :: 120.17(4.64) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.27 R 0.21 G 0.01 C Shift Assignments>> C :: 175.459 CA :: 58.104 CB :: 29.314 CG :: 25.199 CD :: 29.056 CE :: 42.331 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 :: 7.903 HA :: 4.099 HB2 :: 2.155 HB3 :: 2.011 HG2 :: 1.353 HG3 :: 1.255 HD2 :: 1.628 HD3 :: 1.578 HE2 :: 2.913 HE3 :: 2.815 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 :: 117.474 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.29 K 0.2 E 0.11 R 0.05 C Shift Assignments>> CA :: 53.816 CB :: 28.012 CG :: 34.817 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 :: 8.389 HA :: 4.758 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 2.136 HG3 :: 2.136 HE21 :: 7.624 HE22 :: 6.959 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.561 NE2 :: 112.978 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 E 0.19 K 0.16 M 0.11 HN Overlap>> 1.A5 1.A5 C Shift Assignments>> C :: 179.152 CA :: 54.052 CB :: 29.825 CG :: 34.933 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 :: 8.348 HA :: 4.260 HB2 :: 2.132 HB3 :: 2.132 HG2 :: 2.308 HG3 :: 2.309 HE21 :: 8.150 HE22 :: 6.687 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.156 NE2 :: 113.707 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 I 0.23 V 0.19 P 0.13 E 0.04 R 0.03 H 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.291 CA :: 62.189 CB :: 30.002 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.456 HA :: 4.110 HB2 :: 2.883 HB3 :: 2.963 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 :: 117.612 Ave N Shift Values>> N :: 120.17(4.64) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> C :: 176.808 CA :: 55.248 CB :: 39.303 CD1 :: 129.888 CD2 :: 129.888 CE1 :: 130.408 CE2 :: 130.408 CZ :: 129.776 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.307 HA :: 5.184 HB2 :: 3.448 HB3 :: 2.962 HD1 :: 7.288 HD2 :: 7.288 HE1 :: 7.351 HE2 :: 7.351 HZ :: 7.219 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.901 Ave N Shift Values>> N :: 120.45(4.18) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.409 CA :: 57.689 CB :: 62.473 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.069 HA :: 5.185 HB2 :: 3.913 HB3 :: 3.834 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 :: 120.255 Ave N Shift Values>> N :: 116.28(3.52) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.38 R 0.19 HN Overlap>> 1.E12 1.E12 C Shift Assignments>> C :: 176.152 CA :: 57.761 CB :: 31.583 CG :: 23.943 CD :: 28.923 CE :: 42.244 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 :: 8.250 HA :: 4.296 HB2 :: 1.927 HB3 :: 1.847 HG2 :: 1.369 HG3 :: 1.369 HD2 :: 1.618 HD3 :: 1.590 HE2 :: 2.875 HE3 :: 2.811 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 :: 118.342 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.23 K 0.18 F 0.08 R 0.07 Y 0.06 C 0.04 N 0.03 C Shift Assignments>> C :: 175.939 CA :: 54.882 CB :: 41.915 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 :: 7.978 HA :: 4.801 HB2 :: 2.951 HB3 :: 2.863 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.924 Ave N Shift Values>> N :: 120.65(3.86) 1.I78 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 :: 175.568 CA :: 62.881 CB :: 38.164 CG1 :: 25.457 CG2 :: 18.094 CD1 :: 13.778 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 :: 7.526 HA :: 3.994 HB :: 2.016 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.827 HG22 :: 0.827 HG23 :: 0.827 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.295 Ave N Shift Values>> N :: 121.46(4.28) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.551 CA :: 61.278 CB :: 34.252 CG1 :: 20.374 CG2 :: 20.441 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 :: 8.280 HA :: 4.440 HB :: 2.169 HG11 :: 0.943 HG12 :: 0.943 HG13 :: 0.943 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.223 Ave N Shift Values>> N :: 121.14(4.54) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.13 Q 0.07 K 0.05 I 0.01 HN Overlap>> 1.L29 1.L29 C Shift Assignments>> C :: 175.872 CA :: 56.335 CB :: 30.485 CG :: 36.085 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 :: 8.666 HA :: 4.442 HB2 :: 1.934 HB3 :: 1.915 HG2 :: 2.125 HG3 :: 2.273 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.025 Ave N Shift Values>> N :: 120.67(3.48) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.13 C 0.1 Y 0.07 F 0.07 L 0.03 M 0.01 E 0.01 C Shift Assignments>> C :: 174.553 CA :: 53.191 CB :: 38.461 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 :: 8.232 HA :: 4.541 HB2 :: 2.703 HB3 :: 2.493 HD21 :: 7.723 HD22 :: 6.942 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 :: 119.243 ND2 :: 113.252 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 175.226 CA :: 58.314 CB :: 38.706 CD1 :: 133.013 CD2 :: 133.013 CE1 :: 118.381 CE2 :: 118.381 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 :: 7.932 HA :: 4.331 HB2 :: 2.849 HB3 :: 2.760 HD1 :: 6.788 HD2 :: 6.788 HE1 :: 6.663 HE2 :: 6.663 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 :: 120.131 Ave N Shift Values>> N :: 120.52(4.2) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 F 0.2 HN Overlap>> 1.Y82 1.Y82 C Shift Assignments>> C :: 175.325 CA :: 58.138 CB :: 39.222 CD1 :: 131.958 CD2 :: 131.958 CE1 :: 131.700 CE2 :: 131.700 CZ :: 133.470 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.933 HA :: 4.423 HB2 :: 3.048 HB3 :: 2.943 HD1 :: 7.152 HD2 :: 7.152 HE1 :: 7.344 HE2 :: 7.344 HZ :: 7.180 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 :: 120.051 Ave N Shift Values>> N :: 120.45(4.18) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.15 C Shift Assignments>> C :: 175.814 CA :: 55.374 CB :: 32.647 CG :: 32.072 CE :: 17.044 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 :: 7.971 HA :: 4.379 HB2 :: 1.900 HB3 :: 2.043 HG2 :: 2.387 HG3 :: 2.450 HE1 :: 2.048 HE2 :: 2.048 HE3 :: 2.048 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.622 Ave N Shift Values>> N :: 120.09(3.57) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.07 K 0.04 C Shift Assignments>> C :: 175.977 CA :: 56.321 CB :: 30.946 CG :: 27.041 CD :: 43.438 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 :: 8.138 HA :: 4.265 HB2 :: 1.743 HB3 :: 1.819 HG2 :: 1.599 HG3 :: 1.715 HD2 :: 3.145 HD3 :: 3.097 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 :: 121.921 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.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.08 N 0.08 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.476 CA :: 54.282 CB :: 41.368 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 :: 8.414 HA :: 4.645 HB2 :: 2.728 HB3 :: 2.657 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.317 Ave N Shift Values>> N :: 120.65(3.86) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.343 CA :: 58.927 CB :: 63.848 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.360 HA :: 4.389 HB2 :: 3.862 HB3 :: 3.945 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.034 Ave N Shift Values>> N :: 116.28(3.52) 1.G88 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 :: 174.347 CA :: 45.514 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.516 HA2 :: 3.986 HA3 :: 3.986 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.817 Ave N Shift Values>> N :: 109.67(3.87) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.570 CA :: 58.424 CB :: 63.911 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.438 HB2 :: 3.861 HB3 :: 3.861 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.705 Ave N Shift Values>> N :: 116.28(3.52) 1.K90 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 :: 176.133 CA :: 56.136 CB :: 33.109 CG :: 24.619 CD :: 29.087 CE :: 42.213 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 :: 8.323 HA :: 4.354 HB2 :: 1.756 HB3 :: 1.852 HG2 :: 1.437 HG3 :: 1.437 HD2 :: 1.667 HD3 :: 1.667 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 :: 123.444 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.01 HN Overlap>> 1.C66 1.C66 C Shift Assignments>> C :: 177.464 CA :: 52.296 CB :: 19.403 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 4.305 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.634 Ave N Shift Values>> N :: 123.23(3.54) 1.A92 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 :: 177.885 CA :: 52.616 CB :: 19.466 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.352 HA :: 4.378 HB1 :: 1.433 HB2 :: 1.433 HB3 :: 1.433 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.784 Ave N Shift Values>> N :: 123.23(3.54) 1.T93 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 :: 173.653 CA :: 61.308 CB :: 70.011 CG2 :: 21.524 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 :: 8.063 HA :: 4.363 HB :: 4.323 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 111.999 Ave N Shift Values>> N :: 115.42(4.75) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.21 D 0.14 R 0.13 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 180.805 CA :: 55.968 CB :: 42.241 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 :: 7.920 HA :: 4.414 HB2 :: 2.573 HB3 :: 2.686 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.770 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 92 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 93 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 94 #Suspicious: 0 C Shift Results: #Consistent: 369 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 577 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S35 HA = 5.800(S), Expected = 4.48, Std = 0.4000, ChiSquare = 9.6685e-04 1.A36 HA = 5.797(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.7730e-04