Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.R1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.17 G 0.07 C Shift Assignments>> C :: 176.243 CA :: 56.149 CB :: 30.557 CD :: 43.196 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 :: 8.195 HA :: 4.318 HB2 :: 1.831 HB3 :: 1.751 HD2 :: 3.158 HD3 :: 3.158 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 :: 120.668 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.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.04 A 0.02 G 0.02 C Shift Assignments>> C :: 177.085 CA :: 55.274 CB :: 42.321 CG :: 27.029 CD1 :: 24.770 CD2 :: 23.580 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 :: 8.185 HA :: 4.333 HB2 :: 1.631 HB3 :: 1.572 HG :: 1.602 HD11 :: 0.900 HD12 :: 0.900 HD13 :: 0.900 HD21 :: 0.855 HD22 :: 0.855 HD23 :: 0.855 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 :: 123.057 Ave N Shift Values>> N :: 121.86(3.9) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 K 0.19 G 0.07 C Shift Assignments>> C :: 175.669 CA :: 55.928 CB :: 30.802 CD :: 43.196 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 :: 8.209 HA :: 4.323 HB2 :: 1.870 HB3 :: 1.792 HD2 :: 3.158 HD3 :: 3.158 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 :: 122.012 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.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 177.596 CA :: 52.442 CB :: 19.407 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.224 HA :: 4.354 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.205 Ave N Shift Values>> N :: 123.23(3.54) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.344 CA :: 61.831 CB :: 69.880 CG2 :: 21.628 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 :: 8.075 HA :: 4.353 HB :: 4.203 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 :: 113.920 Ave N Shift Values>> N :: 115.42(4.75) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.768 CA :: 62.072 CB :: 32.861 CG1 :: 21.014 CG2 :: 20.327 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 :: 8.045 HA :: 4.211 HB :: 2.070 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 122.064 Ave N Shift Values>> N :: 121.14(4.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> CA :: 58.135 CB :: 63.881 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.301 HA :: 4.470 HB2 :: 4.492 HB3 :: 4.492 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 :: 119.848 Ave N Shift Values>> N :: 116.28(3.52) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.18 Q 0.14 W 0.13 M 0.13 E 0.1 K 0.06 C Shift Assignments>> C :: 173.860 CA :: 53.941 CB :: 30.483 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 :: 8.211 HA :: 4.670 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.940 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.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.777 CA :: 63.085 CB :: 31.897 CG :: 27.286 CD :: 50.449 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 :: 4.476 HB2 :: 2.272 HB3 :: 1.878 HG2 :: 1.976 HG3 :: 1.976 HD2 :: 3.766 HD3 :: 3.583 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.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.109 CA :: 62.355 CB :: 32.762 CG1 :: 21.097 CG2 :: 20.389 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 :: 8.174 HA :: 4.116 HB :: 2.032 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 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 :: 120.195 Ave N Shift Values>> N :: 121.14(4.54) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.801 CA :: 58.085 CB :: 63.883 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.230 HA :: 4.431 HB2 :: 4.462 HB3 :: 4.462 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 :: 118.665 Ave N Shift Values>> N :: 116.28(3.52) 1.H12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.4 K 0.37 M 0.09 E 0.06 R 0.05 C Shift Assignments>> C :: 175.647 CA :: 55.883 CB :: 29.273 CG :: 33.572 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 :: 4.291 HB2 :: 2.051 HB3 :: 1.934 HG2 :: 2.288 HG3 :: 2.288 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) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.09 G 0.09 C Shift Assignments>> C :: 176.146 CA :: 56.155 CB :: 30.673 CG :: 27.042 CD :: 43.237 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 :: 8.383 HA :: 4.313 HB2 :: 1.853 HB3 :: 1.772 HG2 :: 1.619 HG3 :: 1.619 HD2 :: 3.181 HD3 :: 3.181 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 :: 122.367 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.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 Q 0.24 K 0.03 E 0.01 C Shift Assignments>> C :: 176.452 CA :: 55.440 CB :: 32.761 CG :: 31.869 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 :: 8.351 HA :: 4.485 HB2 :: 2.070 HB3 :: 2.070 HG2 :: 2.599 HG3 :: 2.599 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 :: 121.712 Ave N Shift Values>> N :: 120.09(3.57) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.711 CA :: 45.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.372 HA2 :: 3.995 HA3 :: 3.995 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.062 Ave N Shift Values>> N :: 109.67(3.87) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.710 CA :: 59.776 CB :: 69.846 CG2 :: 21.428 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 :: 7.963 HA :: 4.540 HB :: 4.172 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 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 :: 116.091 Ave N Shift Values>> N :: 115.42(4.75) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.541 CA :: 63.280 CB :: 32.000 CG :: 27.378 CD :: 50.920 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 :: 4.449 HB2 :: 2.267 HB3 :: 1.872 HG2 :: 2.008 HG3 :: 2.008 HD2 :: 3.834 HD3 :: 3.697 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.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.26 K 0.03 E 0.01 C Shift Assignments>> C :: 175.864 CA :: 55.463 CB :: 32.924 CG :: 31.872 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 :: 8.350 HA :: 4.453 HB2 :: 2.026 HB3 :: 2.026 HG2 :: 2.531 HG3 :: 2.531 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 :: 121.036 Ave N Shift Values>> N :: 120.09(3.57) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.681 CA :: 62.198 CB :: 32.865 CG1 :: 21.155 CG2 :: 20.529 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 :: 8.045 HA :: 4.172 HB :: 2.070 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 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 :: 121.087 Ave N Shift Values>> N :: 121.14(4.54) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.18 Q 0.11 K 0.09 I 0.02 C Shift Assignments>> C :: 175.891 CA :: 56.295 CB :: 30.387 CG :: 36.068 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 :: 8.399 HA :: 4.328 HB2 :: 2.020 HB3 :: 1.905 HG2 :: 2.226 HG3 :: 2.226 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.253 Ave N Shift Values>> N :: 120.67(3.48) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.23 F 0.07 Y 0.07 L 0.06 HN Overlap>> 1.S7 1.S7 C Shift Assignments>> C :: 174.851 CA :: 53.104 CB :: 39.170 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 :: 8.392 HA :: 4.719 HB2 :: 2.821 HB3 :: 2.821 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 :: 119.853 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.12 F 0.1 K 0.1 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.300 CA :: 54.343 CB :: 41.049 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 :: 8.355 HA :: 4.593 HB2 :: 2.678 HB3 :: 2.678 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 :: 121.187 Ave N Shift Values>> N :: 120.65(3.86) 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 :: 174.735 CA :: 58.745 CB :: 63.945 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.201 HA :: 4.334 HB2 :: 3.857 HB3 :: 3.857 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 :: 115.903 Ave N Shift Values>> N :: 116.28(3.52) 1.G25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.369 CA :: 44.967 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.130 HA2 :: 3.862 HA3 :: 3.694 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.949 Ave N Shift Values>> N :: 109.67(3.87) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.006 CA :: 57.568 CB :: 40.280 CD1 :: 133.184 CD2 :: 133.184 CE1 :: 117.869 CE2 :: 117.869 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 :: 7.735 HA :: 4.947 HB2 :: 2.849 HB3 :: 2.528 HD1 :: 6.999 HD2 :: 6.999 HE1 :: 6.664 HE2 :: 6.664 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 :: 119.199 Ave N Shift Values>> N :: 120.52(4.2) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.12 G 0.03 A 0.02 C Shift Assignments>> C :: 175.504 CA :: 53.974 CB :: 35.977 CG :: 24.432 CD :: 28.986 CE :: 42.155 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.065 HA :: 4.644 HB2 :: 1.804 HB3 :: 1.575 HG2 :: 1.396 HG3 :: 1.396 HD2 :: 1.646 HD3 :: 1.604 HE2 :: 2.935 HE3 :: 2.935 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 :: 118.292 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 178.461 CA :: 56.722 CB :: 41.237 CG :: 27.058 CD1 :: 24.815 CD2 :: 23.707 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 :: 8.349 HA :: 3.691 HB2 :: 1.625 HB3 :: 1.453 HG :: 1.457 HD11 :: 0.940 HD12 :: 0.940 HD13 :: 0.940 HD21 :: 0.806 HD22 :: 0.806 HD23 :: 0.806 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 :: 120.573 Ave N Shift Values>> N :: 121.86(3.9) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.571 CA :: 44.966 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.858 HA2 :: 4.225 HA3 :: 3.483 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.160 Ave N Shift Values>> N :: 109.67(3.87) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 M 0.27 K 0.24 E 0.06 R 0.01 C Shift Assignments>> C :: 175.056 CA :: 56.342 CB :: 30.414 CG :: 33.427 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 :: 7.660 HA :: 4.182 HB2 :: 2.285 HB3 :: 2.167 HG2 :: 2.478 HG3 :: 2.478 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 :: 121.459 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.12 G 0.11 C Shift Assignments>> C :: 176.313 CA :: 55.200 CB :: 30.672 CD :: 43.369 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 :: 8.614 HA :: 5.126 HB2 :: 1.850 HB3 :: 1.771 HD2 :: 3.228 HD3 :: 3.228 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.575 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.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 A 0.37 I 0.22 C Shift Assignments>> C :: 173.909 CA :: 58.606 CB :: 36.961 CG1 :: 22.208 CG2 :: 18.203 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 :: 8.855 HA :: 5.361 HB :: 2.080 HG11 :: 0.840 HG12 :: 0.840 HG13 :: 0.840 HG21 :: 0.510 HG22 :: 0.510 HG23 :: 0.510 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 :: 116.684 Ave N Shift Values>> N :: 121.14(4.54) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.51 K 0.35 G 0.12 C Shift Assignments>> C :: 173.981 CA :: 55.068 CB :: 33.673 CG :: 27.911 CD :: 43.237 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.103 HA :: 5.158 HB2 :: 1.693 HB3 :: 1.588 HG2 :: 1.398 HG3 :: 1.398 HD2 :: 3.181 HD3 :: 3.181 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.314 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.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 M 0.15 Y 0.14 N 0.12 F 0.08 K 0.04 I 0.02 Q 0.02 D 0.01 C Shift Assignments>> C :: 176.042 CA :: 55.614 CB :: 36.521 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 :: 9.247 HA :: 4.876 HB2 :: 3.008 HB3 :: 3.008 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 :: 127.618 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.43 I 0.03 V 0.01 L 0.01 C Shift Assignments>> C :: 177.619 CA :: 55.378 CB :: 18.978 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.601 HA :: 3.918 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 :: 130.564 Ave N Shift Values>> N :: 123.23(3.54) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 G 0.01 C Shift Assignments>> C :: 178.364 CA :: 56.630 CB :: 34.225 CG :: 24.672 CD :: 28.668 CE :: 41.990 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 :: 9.202 HA :: 4.378 HB2 :: 1.257 HB3 :: 1.216 HG2 :: 1.228 HG3 :: 0.989 HD2 :: 1.479 HD3 :: 1.429 HE2 :: 2.883 HE3 :: 2.883 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 :: 116.945 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.91 H 0.08 C Shift Assignments>> C :: 174.939 CA :: 56.456 CB :: 36.629 CD1 :: 132.548 CD2 :: 132.548 CE1 :: 130.812 CE2 :: 130.812 CZ :: 125.020 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 :: 8.349 HA :: 4.384 HB2 :: 1.801 HB3 :: 0.970(S) HD1 :: 7.167 HD2 :: 7.167 HE1 :: 7.021 HE2 :: 7.021 HZ :: 6.993 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 :: 118.018 Ave N Shift Values>> N :: 120.45(4.18) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.16 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.882 CA :: 44.937 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.990 HA2 :: 4.366 HA3 :: 3.869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.926 Ave N Shift Values>> N :: 109.67(3.87) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.26 I 0.03 K 0.01 Q 0.01 C Shift Assignments>> C :: 176.946 CA :: 56.201 CB :: 31.155 CG :: 37.256 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 :: 8.769 HA :: 5.209 HB2 :: 2.086 HB3 :: 2.086 HG2 :: 2.402 HG3 :: 2.218 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 :: 123.019 Ave N Shift Values>> N :: 120.67(3.48) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 171.529 CA :: 46.022 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.210 HA2 :: 4.816 HA3 :: 3.103 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.189 Ave N Shift Values>> N :: 109.67(3.87) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.750 CA :: 60.545 CB :: 71.811 CG2 :: 21.332 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 :: 7.510 HA :: 5.049 HB :: 3.671 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 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 :: 113.981 Ave N Shift Values>> N :: 115.42(4.75) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.029 CA :: 63.357 CB :: 37.268 CG1 :: 28.176 CG2 :: 17.993 CD1 :: 14.663 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 :: 8.548 HA :: 3.959 HB :: 2.133 HG12 :: 1.723 HG13 :: 1.723 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.959 Ave N Shift Values>> N :: 121.46(4.28) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.206 CA :: 61.390 CB :: 32.995 CG1 :: 21.622 CG2 :: 18.241 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 :: 8.883 HA :: 4.480 HB :: 2.116 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.503 HG22 :: 0.503 HG23 :: 0.503 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 :: 123.626 Ave N Shift Values>> N :: 121.14(4.54) 1.N44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.22 N 0.16 K 0.08 F 0.06 Y 0.04 R 0.01 C Shift Assignments>> C :: 173.011 CA :: 52.744 CB :: 41.363 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.792 HA :: 4.727 HB2 :: 2.881 HB3 :: 2.520 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 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.32 Q 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 173.488 CA :: 55.765 CB :: 36.976 CG :: 31.360 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 :: 8.704 HA :: 5.257 HB2 :: 2.207 HB3 :: 2.006 HG2 :: 2.427 HG3 :: 2.278 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 :: 119.378 Ave N Shift Values>> N :: 120.09(3.57) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.31 Q 0.03 C Shift Assignments>> C :: 175.338 CA :: 55.401 CB :: 33.747 CG :: 35.964 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 :: 8.952 HA :: 4.777 HB2 :: 2.046 HB3 :: 1.931 HG2 :: 2.191 HG3 :: 2.191 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 :: 120.911 Ave N Shift Values>> N :: 120.67(3.48) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.26 R 0.14 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.662 CA :: 44.443 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.588 HA2 :: 4.347 HA3 :: 3.852 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.354 Ave N Shift Values>> N :: 109.67(3.87) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.502 CA :: 57.178 CB :: 65.428 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.872 HA :: 4.790 HB2 :: 3.811 HB3 :: 3.811 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.606 Ave N Shift Values>> N :: 116.28(3.52) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 176.524 CA :: 46.173 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.918 HA2 :: 4.047 HA3 :: 3.872 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.118 Ave N Shift Values>> N :: 109.67(3.87) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.46 K 0.2 Q 0.16 I 0.13 M 0.02 C Shift Assignments>> C :: 176.720 CA :: 58.518 CB :: 29.021 CG :: 35.625 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 :: 4.116 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.963 HG3 :: 1.963 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.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 174.903 CA :: 55.190 CB :: 29.664 CD2 :: 119.302 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 :: 8.004 HA :: 4.771 HB2 :: 3.420 HB3 :: 3.168 HD2 :: 7.082 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 :: 117.491 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.159 CA :: 59.794 CB :: 63.915 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.364 HA :: 4.475 HB2 :: 3.853 HB3 :: 3.739 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 :: 115.824 Ave N Shift Values>> N :: 116.28(3.52) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 G 0.33 K 0.17 C Shift Assignments>> C :: 174.674 CA :: 55.060 CB :: 34.575 CG :: 27.396 CD :: 43.557 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.295 HA :: 5.275 HB2 :: 1.963 HB3 :: 1.839 HG2 :: 1.824 HG3 :: 1.624 HD2 :: 3.063 HD3 :: 2.926 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 :: 124.461 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.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.34 A 0.02 C Shift Assignments>> C :: 173.719 CA :: 53.112 CB :: 45.540 CG :: 26.947 CD1 :: 25.315 CD2 :: 23.828 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.362 HA :: 4.847 HB2 :: 1.552 HB3 :: 1.080 HG :: 1.458 HD11 :: 0.277 HD12 :: 0.277 HD13 :: 0.277 HD21 :: 0.682 HD22 :: 0.682 HD23 :: 0.682 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 :: 121.420 Ave N Shift Values>> N :: 121.86(3.9) 1.Q55 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Q 0.47 K 0.31 R 0.11 E 0.05 M 0.03 C Shift Assignments>> C :: 174.427 CA :: 53.833 CB :: 28.118 CG :: 33.988 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 :: 8.456 HA :: 4.208 HB2 :: 1.220(S) HB3 :: -0.899(A) HG2 :: 1.151(S) HG3 :: 0.224(S) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.498 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.026 CA :: 60.020 CB :: 34.117 CG1 :: 21.476 CG2 :: 20.676 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 :: 8.798 HA :: 4.259 HB :: 1.309 HG11 :: 0.478 HG12 :: 0.478 HG13 :: 0.478 HG21 :: -0.532(S) HG22 :: -0.532(S) HG23 :: -0.532(S) 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 :: 128.069 Ave N Shift Values>> N :: 121.14(4.54) 1.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.05 C Shift Assignments>> C :: 176.274 CA :: 50.372 CB :: 18.813 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.430 HA :: 4.389 HB1 :: 1.157 HB2 :: 1.157 HB3 :: 1.157 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.828 Ave N Shift Values>> N :: 123.23(3.54) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.704 CA :: 58.417 CB :: 40.037 CD1 :: 132.799 CD2 :: 132.799 CE1 :: 130.913 CE2 :: 130.913 CZ :: 128.262 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 :: 4.924 HB2 :: 3.127 HB3 :: 2.843 HD1 :: 6.837 HD2 :: 6.837 HE1 :: 6.971 HE2 :: 6.971 HZ :: 6.759 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 :: 125.208 Ave N Shift Values>> N :: 120.45(4.18) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 R 0.14 E 0.05 M 0.03 I 0.02 C Shift Assignments>> C :: 177.380 CA :: 57.968 CB :: 28.170 CG :: 33.631 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 :: 8.991 HA :: 4.153 HB2 :: 2.211 HB3 :: 2.211 HG2 :: 2.505 HG3 :: 2.505 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 :: 124.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.812 CA :: 45.810 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.193 HA3 :: 3.970 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 M 0.27 K 0.23 E 0.06 R 0.01 C Shift Assignments>> C :: 175.143 CA :: 55.291 CB :: 30.341 CG :: 33.586 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.486 HA :: 4.521 HB2 :: 2.257 HB3 :: 1.561 HG2 :: 2.377 HG3 :: 2.260 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.189 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.23 R 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.401 CA :: 44.583 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.925 HA2 :: 4.168 HA3 :: 3.820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.904 Ave N Shift Values>> N :: 109.67(3.87) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.723 CA :: 60.460 CB :: 38.432 CG1 :: 27.912 CG2 :: 18.177 CD1 :: 12.982 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 :: 8.149 HA :: 4.787 HB :: 1.570 HG12 :: 1.522 HG13 :: 0.814 HG21 :: 0.494 HG22 :: 0.494 HG23 :: 0.494 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 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 :: 119.938 Ave N Shift Values>> N :: 121.46(4.28) 1.K64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.76 R 0.16 A 0.03 G 0.03 C Shift Assignments>> C :: 175.239 CA :: 54.167 CB :: 37.005 CG :: 24.539 CD :: 28.506 CE :: 41.791 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 :: 8.692 HA :: 4.739 HB2 :: 1.719 HB3 :: 1.476 HG2 :: 1.204 HG3 :: 0.818 HD2 :: 1.215 HD3 :: 0.937 HE2 :: 2.271(S) HE3 :: 1.955(S) 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 :: 126.674 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 176.641 CA :: 56.704 CB :: 30.645 CD1 :: 127.398 CE3 :: 120.157 CZ2 :: 115.025 CZ3 :: 121.425 CH2 :: 123.675 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.643 HA :: 5.347 HB2 :: 3.062 HB3 :: 2.885 HD1 :: 7.248 HE1 :: 10.006 HE3 :: 7.157 HZ2 :: 7.283 HZ3 :: 6.610 HH2 :: 6.784 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 :: 121.472 NE1 :: 129.490 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.35 A 0.01 C Shift Assignments>> C :: 176.014 CA :: 53.227 CB :: 45.658 CG :: 27.108 CD1 :: 24.191 CD2 :: 24.191 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.685 HA :: 4.955 HB2 :: 1.572 HB3 :: 1.572 HG :: 1.030 HD11 :: 1.054 HD12 :: 1.054 HD13 :: 1.054 HD21 :: 1.054 HD22 :: 1.054 HD23 :: 1.054 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.973 Ave N Shift Values>> N :: 121.86(3.9) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.516 CA :: 63.235 CB :: 31.896 CG1 :: 21.420 CG2 :: 21.964 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 :: 8.845 HA :: 4.225 HB :: 2.159 HG11 :: 1.094 HG12 :: 1.094 HG13 :: 1.094 HG21 :: 1.058 HG22 :: 1.058 HG23 :: 1.058 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 :: 124.141 Ave N Shift Values>> N :: 121.14(4.54) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.21 I 0.11 V 0.01 C Shift Assignments>> C :: 179.098 CA :: 56.367 CB :: 18.238 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.429 HA :: 3.807 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.151 Ave N Shift Values>> N :: 123.23(3.54) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 177.826 CA :: 54.328 CB :: 18.385 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.703 HA :: 4.071 HB1 :: 1.090 HB2 :: 1.090 HB3 :: 1.090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.499 Ave N Shift Values>> N :: 123.23(3.54) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.073 CA :: 55.971 CB :: 39.022 CD1 :: 132.770 CD2 :: 132.770 CE1 :: 118.328 CE2 :: 118.328 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 :: 7.134 HA :: 4.874 HB2 :: 3.445 HB3 :: 2.821 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.879 HE2 :: 6.879 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 :: 112.982 Ave N Shift Values>> N :: 120.52(4.2) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.08 L 0.05 C Shift Assignments>> C :: 175.913 CA :: 53.665 CB :: 20.217 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.700 HA :: 4.371 HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.948 Ave N Shift Values>> N :: 123.23(3.54) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 R 0.32 K 0.18 G 0.07 I 0.01 C Shift Assignments>> C :: 175.452 CA :: 55.887 CB :: 28.052 CD :: 43.237 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 :: 8.342 HA :: 4.082 HB2 :: 1.843 HB3 :: 1.791 HD2 :: 3.181 HD3 :: 3.181 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 :: 115.825 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 G 0.17 A 0.04 C Shift Assignments>> C :: 177.081 CA :: 54.127 CB :: 43.523 CG :: 25.617 CD1 :: 23.573 CD2 :: 23.573 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 :: 7.991 HA :: 4.734 HB2 :: 1.869 HB3 :: 1.256 HG :: 0.614 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.962 HD22 :: 0.962 HD23 :: 0.962 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 :: 119.405 Ave N Shift Values>> N :: 121.86(3.9) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 E 0.35 Q 0.06 C Shift Assignments>> C :: 176.199 CA :: 54.452 CB :: 32.269 CG :: 35.938 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 :: 8.630 HA :: 4.719 HB2 :: 2.100 HB3 :: 1.884 HG2 :: 2.100 HG3 :: 2.100 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 :: 121.690 Ave N Shift Values>> N :: 120.67(3.48) 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 :: 173.631 CA :: 59.137 CB :: 63.600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.720 HA :: 4.692 HB2 :: 3.886 HB3 :: 3.886 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 :: 119.119 Ave N Shift Values>> N :: 116.28(3.52) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.695 CA :: 64.077 CB :: 33.091 CG1 :: 21.769 CG2 :: 20.915 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 :: 7.616 HA :: 4.027 HB :: 1.956 HG11 :: 0.874 HG12 :: 0.874 HG13 :: 0.874 HG21 :: 0.780 HG22 :: 0.780 HG23 :: 0.780 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 :: 127.107 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 72 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 76 #Suspicious: 0 C Shift Results: #Consistent: 315 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 472 #Duplicate: 0 #Unknown: 0 #Suspicious: 9 #Anomalous: 1 N Shift Results: #Consistent: 71 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F37 HB3 = 0.970(S), Expected = 2.93, Std = 0.4000, ChiSquare = 9.5837e-07 1.Q55 HB2 = 1.220(S), Expected = 2.05, Std = 0.2500, ChiSquare = 9.0017e-04 1.Q55 HB3 = -0.899(A), Expected = 2.02, Std = 0.2800, ChiSquare = 1.9066e-25 1.Q55 HG2 = 1.151(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.4936e-05 1.Q55 HG3 = 0.224(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.0473e-12 1.V56 HG21 = -0.532(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9635e-06 1.V56 HG22 = -0.532(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9635e-06 1.V56 HG23 = -0.532(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9635e-06 1.K64 HE2 = 2.271(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3597e-04 1.K64 HE3 = 1.955(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.7971e-06