Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.26 K 0.2 D 0.17 R 0.12 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 177.143 CA :: 55.507 CB :: 42.197 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>> HA :: 4.626 HB2 :: 2.722 HB3 :: 2.652 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.177 CA :: 46.227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.594 HA2 :: 3.933 HA3 :: 3.882 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.429 Ave N Shift Values>> N :: 109.67(3.87) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 E 0.43 K 0.01 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 177.460 CA :: 57.577 CB :: 31.031 CG :: 37.204 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 :: 8.33 HA :: 4.244 HB2 :: 2.223 HB3 :: 2.161 HG2 :: 2.636 HG3 :: 2.636 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 :: 118.195 Ave N Shift Values>> N :: 120.67(3.48) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.28 E 0.22 K 0.2 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 176.903 CA :: 56.878 CB :: 29.901 CG :: 34.659 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 :: 8.564 HA :: 4.256 HB2 :: 2.309 HB3 :: 2.247 HG2 :: 1.444 HG3 :: 1.351 HE21 :: 7.751 HE22 :: 6.937 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.085 NE2 :: 109.026 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.31 K 0.27 G 0.03 C Shift Assignments>> C :: 177.581 CA :: 57.143 CB :: 33.802 CG :: 25.656 CD :: 29.939 CE :: 42.945 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 :: 8.440 HA :: 4.291 HB2 :: 1.908 HB3 :: 1.803 HG2 :: 1.444 HG3 :: 1.351 HD2 :: 1.701 HD3 :: 1.620 HE2 :: 2.994 HE3 :: 2.912 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.852 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.871 CB :: 70.425 CG2 :: 22.274 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 :: 8.138 HA :: 4.183 HB :: 4.104 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 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 :: 111.993 Ave N Shift Values>> N :: 115.42(4.75) 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.11 Q 0.11 H 0.1 K 0.1 E 0.09 W 0.08 C 0.07 L 0.07 F 0.06 Y 0.06 S 0.03 D 0.03 N 0.01 C Shift Assignments>> C :: 175.515 CA :: 56.723 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.517 HB2 :: 2.909 HB3 :: 2.909 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.39 C 0.18 HN Overlap>> 1.N28 1.N28 C Shift Assignments>> C :: 176.924 CA :: 57.694 CB :: 40.361 CD1 :: 132.093 CD2 :: 132.093 CE1 :: 132.130 CE2 :: 132.130 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 :: 8.382 HA :: 4.323 HB2 :: 3.189 HB3 :: 2.928 HD1 :: 7.278 HD2 :: 7.278 HE1 :: 7.366 HE2 :: 7.366 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.402 Ave N Shift Values>> N :: 120.45(4.18) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 K 0.2 G 0.03 HN Overlap>> 1.Q4 1.Q4 C Shift Assignments>> C :: 178.235 CA :: 57.527 CB :: 33.794 CG :: 26.170 CD :: 30.001 CE :: 42.960 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 :: 8.558 HA :: 4.279 HB2 :: 1.939 HB3 :: 1.849 HG2 :: 1.543 HG3 :: 1.543 HD2 :: 1.729 HD3 :: 1.631 HE2 :: 3.033 HE3 :: 2.940 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.073 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 E 0.35 K 0.01 C Shift Assignments>> C :: 179.137 CA :: 60.370 CB :: 30.196 CG :: 37.031 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 :: 8.845 HA :: 4.016 HB2 :: 2.215 HB3 :: 2.091 HG2 :: 2.410 HG3 :: 2.328 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 :: 120.199 Ave N Shift Values>> N :: 120.67(3.48) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.31 G 0.18 K 0.01 HN Overlap>> 1.F50 1.F50 C Shift Assignments>> C :: 178.805 CA :: 58.817 CB :: 30.623 CG :: 28.054 CD :: 44.160 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 :: 8.726 HA :: 4.092 HB2 :: 1.912 HB3 :: 1.838 HG2 :: 1.76 HG3 :: 1.643 HD2 :: 3.197 HD3 :: 3.142 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 :: 116.864 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.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 HN Overlap>> 1.Q23 1.Q23 C Shift Assignments>> C :: 175.655 CA :: 66.460 CB :: 69.307 CG2 :: 23.428 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 :: 7.422 HA :: 3.753 HB :: 4.201 HG21 :: 0.954 HG22 :: 0.954 HG23 :: 0.954 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 :: 113.239 Ave N Shift Values>> N :: 115.42(4.75) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.37 R 0.07 C Shift Assignments>> C :: 178.679 CA :: 60.527 CB :: 30.947 CG :: 29.191 CD :: 44.518 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 :: 8.118 HA :: 3.637 HB2 :: 1.904 HB3 :: 1.826 HG2 :: 1.733 HG3 :: 1.62 HD2 :: 3.302 HD3 :: 3.236 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 :: 117.431 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.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.008 CA :: 62.236 CB :: 63.371 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.381 HA :: 4.084 HB2 :: 3.991 HB3 :: 3.921 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 :: 111.515 Ave N Shift Values>> N :: 116.28(3.52) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.26 L 0.22 G 0.06 C Shift Assignments>> C :: 179.800 CA :: 58.814 CB :: 43.227 CG :: 28.226 CD1 :: 26.030 CD2 :: 25.126 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 :: 7.731 HA :: 4.088 HB2 :: 1.666 HB3 :: 1.6 HG :: 1.285 HD11 :: 0.865 HD12 :: 0.865 HD13 :: 0.865 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 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 :: 120.852 Ave N Shift Values>> N :: 121.86(3.9) 1.L17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.63 L 0.36 C Shift Assignments>> C :: 177.517 CA :: 59.0369 CB :: 39.123 CG :: 26.694 CD1 :: 25.111 CD2 :: 23.771 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 :: 7.646 HA :: 3.648 HB2 :: 1.764 HB3 :: 1.764 HG :: 1.378 HD11 :: -0.271(S) HD12 :: -0.271(S) HD13 :: -0.271(S) HD21 :: -0.498(S) HD22 :: -0.498(S) HD23 :: -0.498(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.288 Ave N Shift Values>> N :: 121.86(3.9) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.41 R 0.05 HN Overlap>> 1.Q37 1.D24 1.Q37 1.D24 C Shift Assignments>> C :: 178.884 CA :: 60.846 CB :: 31.221 CG :: 29.207 CD :: 44.580 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 :: 7.918 HA :: 3.933 HB2 :: 1.73 HB3 :: 1.652 HG2 :: 1.955 HG3 :: 1.826 HD2 :: 3.286 HD3 :: 3.22 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 :: 114.951 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>> C 0.63 E 0.34 K 0.01 C Shift Assignments>> C :: 180.547 CA :: 60.197 CB :: 30.458 CG :: 37.135 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 :: 8.139 HA :: 4.018 HB2 :: 2.227 HB3 :: 2.122 HG2 :: 2.379 HG3 :: 2.305 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.684 Ave N Shift Values>> N :: 120.67(3.48) 1.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 W 0.2 C Shift Assignments>> C :: 178.870 CA :: 61.779 CB :: 29.458 CD1 :: 130.378 CE3 :: 121.355 CZ2 :: 115.221 CH2 :: 122.743 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 :: 8.232 HA :: 4.295 HB2 :: 3.532 HB3 :: 3.473 HD1 :: 7.359 HE1 :: 10.392 HE3 :: 7.733 HZ2 :: 7.554 HZ3 :: 7.306 HH2 :: 7.197 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 :: 117.254 NE1 :: 127.018 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.903 CA :: 63.008 CB :: 39.292 CD1 :: 133.786 CD2 :: 133.786 CE1 :: 118.669 CE2 :: 118.669 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 :: 9.045 HA :: 4.151 HB2 :: 3.193 HB3 :: 3.142 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 6.863 HE2 :: 6.863 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 :: 120.114 Ave N Shift Values>> N :: 120.52(4.2) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.35 R 0.24 G 0.03 C Shift Assignments>> C :: 179.285 CA :: 57.641 CB :: 43.004 CG :: 27.821 CD1 :: 26.154 CD2 :: 23.849 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 :: 7.765 HA :: 3.929 HB2 :: 1.877 HB3 :: 1.779 HG :: 1.538 HD11 :: 0.986 HD12 :: 0.986 HD13 :: 0.986 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 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 :: 112.090 Ave N Shift Values>> N :: 121.86(3.9) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.29 E 0.18 K 0.16 HN Overlap>> 1.T13 1.T13 C Shift Assignments>> C :: 177.206 CA :: 57.631 CB :: 30.380 CG :: 34.347 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 :: 7.31 HA :: 4.143 HB2 :: 2.18 HB3 :: 2.106 HG2 :: 2.441 HG3 :: 2.441 HE21 :: 7.600 HE22 :: 6.914 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 :: 113.235 NE2 :: 109.859 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.28 K 0.1 R 0.08 N 0.07 F 0.04 C 0.04 Y 0.02 G 0.01 HN Overlap>> 1.Q37 1.Q37 1.R18 1.R18 C Shift Assignments>> CA :: 52.808 CB :: 42.208 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 :: 7.924 HA :: 3.92 HB2 :: 2.586 HB3 :: 2.482 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 :: 114.971 Ave N Shift Values>> N :: 120.65(3.86) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 175.416 CA :: 64.265 CB :: 33.109 CG :: 27.213 CD :: 50.998 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 :: 4.38 HB2 :: 2.141 HB3 :: 2.141 HG2 :: 1.643 HG3 :: 1.437 HD2 :: 3.785 HD3 :: 3.38 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.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 56.173 CB :: 39.653 CD1 :: 133.279 CD2 :: 133.279 CE1 :: 119.738 CE2 :: 119.738 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.105 HA :: 4.816 HB2 :: 2.977 HB3 :: 2.977 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 6.895 HE2 :: 6.895 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 :: 114.499 Ave N Shift Values>> N :: 120.52(4.2) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 C Shift Assignments>> C :: 176.911 CA :: 63.305 CB :: 31.625 CG :: 26.738 CD :: 51.916 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 :: 2.356 HB3 :: 2.293 HG2 :: 1.787 HG3 :: 1.437 HD2 :: 3.189 HD3 :: 3.189 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.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 C 0.17 E 0.05 Y 0.05 D 0.04 F 0.04 HN Overlap>> 1.F9 1.F9 C Shift Assignments>> CA :: 52.501 CB :: 37.128 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 :: 8.431 HA :: 4.685 HB2 :: 2.93 HB3 :: 2.93 HD21 :: 7.726 HD22 :: 6.982 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 :: 119.365 ND2 :: 109.706 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.94 P 0.05 C Shift Assignments>> C :: 179.946 CA :: 67.695 CB :: 32.930 CG :: 29.363 CD :: 51.363 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 :: 4.026 HB2 :: 2.414 HB3 :: 2.247 HG2 :: 2.071 HG3 :: 1.931 HD2 :: 3.898 HD3 :: 3.594 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.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.321 CB :: 63.799 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.179 HA :: 4.196 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.979 Ave N Shift Values>> N :: 116.28(3.52) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 K 0.33 R 0.28 G 0.01 C Shift Assignments>> C :: 179.595 CA :: 58.160 CB :: 31.542 CG :: 24.690 CD :: 28.257 CE :: 42.462 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.131 HB2 :: 1.931 HB3 :: 1.826 HG2 :: 1.312 HG3 :: 1.098 HD2 :: 1.74 HD3 :: 1.651 HE2 :: 2.313 HE3 :: 2.313 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 R 0.22 G 0.02 K 0.01 C Shift Assignments>> C :: 179.624 CA :: 62.017 CB :: 33.103 CG :: 27.821 CD :: 30.484 CE :: 42.228 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 :: 8.578 HA :: 3.629 HB2 :: 1.861 HB3 :: 1.768 HG2 :: 1.538 HG3 :: 1.456 HD2 :: 1.694 HD3 :: 1.631 HE2 :: 2.788 HE3 :: 2.725 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.658 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.32 R 0.09 K 0.01 C Shift Assignments>> C :: 179.243 CA :: 60.825 CB :: 30.777 CG :: 29.207 CD :: 44.253 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 :: 7.82 HA :: 3.901 HB2 :: 1.954 HB3 :: 1.877 HG2 :: 1.561 HG3 :: 1.479 HD2 :: 3.243 HD3 :: 3.169 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 :: 115.515 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.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.34 K 0.01 C Shift Assignments>> C :: 180.575 CA :: 60.309 CB :: 30.797 CG :: 36.948 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 :: 8.022 HA :: 3.921 HB2 :: 2.173 HB3 :: 2.091 HG2 :: 2.449 HG3 :: 2.387 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 :: 119.739 Ave N Shift Values>> N :: 120.67(3.48) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.37 R 0.09 G 0.02 C Shift Assignments>> C :: 177.650 CA :: 57.785 CB :: 42.687 CG :: 27.416 CD1 :: 25.298 CD2 :: 23.787 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 :: 8.515 HA :: 3.738 HB2 :: 1.588 HB3 :: 1.491 HG :: 1.409 HD11 :: 1.111 HD12 :: 1.111 HD13 :: 1.111 HD21 :: 0.402 HD22 :: 0.402 HD23 :: 0.402 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 :: 118.141 Ave N Shift Values>> N :: 121.86(3.9) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 C 0.15 V 0.06 L 0.01 C Shift Assignments>> C :: 178.638 CA :: 56.283 CB :: 18.667 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.388 HA :: 3.578 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.566 Ave N Shift Values>> N :: 123.23(3.54) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.2 E 0.2 Q 0.19 R 0.01 HN Overlap>> 1.D24 1.R18 1.D24 1.R18 C Shift Assignments>> C :: 179.491 CA :: 59.291 CB :: 28.936 CG :: 34.814 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 :: 8.00 HA :: 3.96 HB2 :: 2.231 HB3 :: 2.157 HG2 :: 2.488 HG3 :: 2.418 HE21 :: 7.163 HE22 :: 6.634 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 :: 114.979 NE2 :: 109.516 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 C 0.1 L 0.08 V 0.03 T 0.01 C Shift Assignments>> C :: 179.610 CA :: 54.972 CB :: 20.093 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.823 HA :: 4.173 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.248 Ave N Shift Values>> N :: 123.23(3.54) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.44 C Shift Assignments>> C :: 176.685 CA :: 62.605 CB :: 72.594 CG2 :: 23.428 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 :: 7.624 HA :: 4.139 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 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 :: 101.189 Ave N Shift Values>> N :: 115.42(4.75) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 174.859 CA :: 46.663 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.197 HA2 :: 4.151 HA3 :: 3.781 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.098 Ave N Shift Values>> N :: 109.67(3.87) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.22 L 0.21 R 0.03 A 0.02 C Shift Assignments>> C :: 177.196 CA :: 54.539 CB :: 45.192 CG :: 28.148 CD1 :: 26.279 CD2 :: 23.335 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 :: 7.609 HA :: 4.56 HB2 :: 1.604 HB3 :: 1.495 HG :: 1.417 HD11 :: 0.525 HD12 :: 0.525 HD13 :: 0.525 HD21 :: 0.440 HD22 :: 0.440 HD23 :: 0.440 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 :: 119.19 Ave N Shift Values>> N :: 121.86(3.9) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> CA :: 60.374 CB :: 69.449 CG2 :: 22.533 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 :: 8.770 HA :: 4.799 HB :: 4.751 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.818 Ave N Shift Values>> N :: 115.42(4.75) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 P 0.32 C Shift Assignments>> C :: 178.760 CA :: 67.036 CB :: 32.351 CG :: 29.328 CD :: 50.733 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 :: 3.926 HB2 :: 2.291 HB3 :: 2.197 HG2 :: 2.112 HG3 :: 1.769 HD2 :: 3.984 HD3 :: 3.835 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.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.981 CA :: 67.045 CB :: 69.401 CG2 :: 22.385 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 :: 7.977 HA :: 4.021 HB :: 3.997 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.818 Ave N Shift Values>> N :: 115.42(4.75) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 E 0.37 Q 0.04 K 0.03 C Shift Assignments>> C :: 175.515 CA :: 60.237 CB :: 30.672 CG :: 35.920 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 :: 8.110 HA :: 4.162 HB2 :: 2.141 HB3 :: 2.036 HG2 :: 2.601 HG3 :: 2.546 HE21 :: 7.544 HE22 :: 6.982 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.359 NE2 :: 109.516 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V46 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 :: 179.018 CA :: 68.215 CB :: 32.925 CG1 :: 23.678 CG2 :: 23.351 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 :: 8.381 HA :: 3.606 HB :: 2.204 HG11 :: 0.932 HG12 :: 0.932 HG13 :: 0.932 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.554 Ave N Shift Values>> N :: 121.14(4.54) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.65 A 0.14 N 0.06 G 0.05 C 0.03 D 0.01 C Shift Assignments>> C :: 177.418 CA :: 48.806 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.771 HA2 :: 4.370 HA3 :: 3.883 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.774 Ave N Shift Values>> N :: 109.67(3.87) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.25 C 0.19 N 0.09 D 0.08 L 0.04 E 0.03 C Shift Assignments>> C :: 177.827 CA :: 56.615 CB :: 38.624 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 :: 8.829 HA :: 4.563 HB2 :: 2.959 HB3 :: 2.897 HD21 :: 7.589 HD22 :: 6.933 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.657 ND2 :: 110.675 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 180.441 CA :: 63.447 CB :: 29.908 CD1 :: 127.892 CE3 :: 120.382 CZ2 :: 114.723 CH2 :: 122.743 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 :: 8.452 HA :: 3.683 HB2 :: 3.349 HB3 :: 3.267 HD1 :: 7.209 HE1 :: 10.172 HE3 :: 7.577 HZ2 :: 7.318 HZ3 :: 7.284 HH2 :: 7.197 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 :: 120.987 NE1 :: 127.053 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.34 C 0.24 HN Overlap>> 1.R12 1.R12 C Shift Assignments>> C :: 178.087 CA :: 63.845 CB :: 40.252 CD1 :: 130.717 CD2 :: 130.717 CE1 :: 132.168 CE2 :: 132.168 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 :: 8.751 HA :: 3.909 HB2 :: 3.496 HB3 :: 3.208 HD1 :: 7.567 HD2 :: 7.567 HE1 :: 7.412 HE2 :: 7.412 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 :: 116.855 Ave N Shift Values>> N :: 120.45(4.18) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 R 0.21 K 0.16 G 0.05 C Shift Assignments>> C :: 179.750 CA :: 60.856 CB :: 33.517 CG :: 25.562 CD :: 30.484 CE :: 42.883 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 :: 8.492 HA :: 3.905 HB2 :: 2.017 HB3 :: 1.931 HG2 :: 1.448 HG3 :: 1.374 HD2 :: 1.729 HD3 :: 1.651 HE2 :: 3.014 HE3 :: 2.936 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 :: 117.249 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.26 C 0.16 D 0.11 N 0.07 L 0.07 E 0.01 C Shift Assignments>> C :: 177.798 CA :: 56.704 CB :: 39.141 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 :: 8.185 HA :: 4.267 HB2 :: 2.667 HB3 :: 2.491 HD21 :: 7.856 HD22 :: 7.107 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 :: 114.904 ND2 :: 109.68 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.34 R 0.15 L 0.01 C Shift Assignments>> C :: 178.792 CA :: 58.801 CB :: 29.616 CG :: 26.061 CD :: 44.689 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 :: 7.856 HA :: 3.430 HB2 :: 2.165 HB3 :: 1.896 HG2 :: 1.800 HG3 :: 1.647 HD2 :: 2.905 HD3 :: 2.905 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 :: 120.068 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.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.44 R 0.01 C Shift Assignments>> C :: 180.596 CA :: 60.781 CB :: 32.452 CG :: 29.799 CD :: 44.689 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 :: 8.441 HA :: 4.248 HB2 :: 2.200 HB3 :: 2.122 HG2 :: 1.682 HG3 :: 1.608 HD2 :: 2.733 HD3 :: 2.663 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 :: 115.529 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.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.21 Q 0.2 E 0.17 R 0.02 C Shift Assignments>> C :: 179.144 CA :: 59.461 CB :: 28.895 CG :: 34.643 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 :: 7.785 HA :: 4.105 HB2 :: 2.223 HB3 :: 2.114 HG2 :: 1.682 HG3 :: 1.608 HE21 :: 7.544 HE22 :: 6.982 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.354 NE2 :: 109.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.29 G 0.2 K 0.01 HN Overlap>> 1.A60 1.A60 C Shift Assignments>> C :: 179.454 CA :: 59.298 CB :: 30.868 CG :: 27.805 CD :: 44.222 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 :: 7.934 HA :: 3.937 HB2 :: 1.791 HB3 :: 1.744 HG2 :: 1.655 HG3 :: 1.573 HD2 :: 3.014 HD3 :: 2.964 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.128 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.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.17 L 0.15 D 0.1 C 0.09 R 0.01 HN Overlap>> 1.E3 1.E3 C Shift Assignments>> C :: 178.701 CA :: 57.577 CB :: 41.137 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 :: 8.28 HA :: 4.517 HB2 :: 2.772 HB3 :: 2.694 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.203 Ave N Shift Values>> N :: 120.65(3.86) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.24 G 0.23 K 0.01 C Shift Assignments>> C :: 178.778 CA :: 59.407 CB :: 30.897 CG :: 28.397 CD :: 44.253 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 :: 8.087 HA :: 4.065 HB2 :: 1.830 HB3 :: 1.830 HG2 :: 1.760 HG3 :: 1.678 HD2 :: 3.232 HD3 :: 3.169 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.238 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.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.06 L 0.01 V 0.01 C Shift Assignments>> C :: 178.018 CA :: 54.821 CB :: 19.138 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.075 HA :: 4.162 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.395 Ave N Shift Values>> N :: 123.23(3.54) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 C 0.06 L 0.03 V 0.01 HN Overlap>> 1.R56 1.R56 C Shift Assignments>> CA :: 54.526 CB :: 19.531 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.875 HA :: 4.159 HB1 :: 1.424 HB2 :: 1.424 HB3 :: 1.424 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.036 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 59 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 59 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 60 #Suspicious: 0 C Shift Results: #Consistent: 260 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 413 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 62 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L17 HD11 = -0.271(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6591e-04 1.L17 HD12 = -0.271(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6591e-04 1.L17 HD13 = -0.271(S), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6591e-04 1.L17 HD21 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05 1.L17 HD22 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05 1.L17 HD23 = -0.498(S), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2908e-05