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>> D 0.35 N 0.19 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.05 C Shift Assignments>> CA :: 53.528 CB :: 40.777 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 :: 4.255 HB2 :: 2.860 HB3 :: 2.860 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.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.41 C 0.41 R 0.15 G 0.01 C Shift Assignments>> C :: 176.915 CA :: 57.379 CB :: 32.669 CG :: 24.638 CD :: 29.174 CE :: 42.628 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 :: 4.300 HB2 :: 1.868 HB3 :: 1.803 HG2 :: 1.452 HG3 :: 1.452 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 3.041 HE3 :: 3.041 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.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 F 0.16 Y 0.11 D 0.1 R 0.08 C 0.07 I 0.01 C Shift Assignments>> C :: 174.433 CA :: 57.165 CB :: 41.834 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.441 HA :: 4.695 HB2 :: 3.353 HB3 :: 3.024 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.134 Ave N Shift Values>> N :: 120.17(4.64) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.32 R 0.22 G 0.01 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> C :: 176.808 CA :: 54.964 CB :: 34.543 CG :: 25.529 CD :: 29.168 CE :: 42.368 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.953 HA :: 5.531 HB2 :: 1.748 HB3 :: 1.497 HG2 :: 1.343 HG3 :: 1.299 HD2 :: 1.476 HD3 :: 1.476 HE2 :: 2.877 HE3 :: 2.877 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 :: 118.922 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.28 R 0.16 G 0.01 HN Overlap>> 1.F37 1.F37 C Shift Assignments>> C :: 176.094 CA :: 55.281 CB :: 36.853 CG :: 24.798 CD :: 29.219 CE :: 42.170 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 :: 8.971 HA :: 4.743 HB2 :: 1.897 HB3 :: 1.804 HG2 :: 1.448 HG3 :: 1.348 HD2 :: 1.630 HD3 :: 1.485 HE2 :: 2.794 HE3 :: 2.794 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.315 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.165 CA :: 63.768 CB :: 33.082 CG1 :: 20.938 CG2 :: 22.615 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 :: 8.780 HA :: 3.977 HB :: 2.029 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 127.671 Ave N Shift Values>> N :: 121.14(4.54) 1.Y7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.39 H 0.07 C Shift Assignments>> C :: 175.201 CA :: 55.560 CB :: 35.937 CD1 :: 132.817 CE1 :: 118.419 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 :: 9.210 HA :: 4.401 HB2 :: 3.088 HB3 :: 2.723 HD1 :: 6.927 HE1 :: 6.799 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 :: 130.170 Ave N Shift Values>> N :: 120.52(4.2) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 K 0.1 I 0.1 Q 0.06 C Shift Assignments>> C :: 177.005 CA :: 58.321 CB :: 29.278 CG :: 36.094 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 :: 8.991 HA :: 4.153 HB2 :: 2.072 HB3 :: 1.995 HG2 :: 2.389 HG3 :: 2.389 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 :: 130.902 Ave N Shift Values>> N :: 120.67(3.48) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.21 E 0.13 Y 0.12 F 0.08 D 0.04 L 0.01 I 0.01 K 0.01 C Shift Assignments>> C :: 174.433 CA :: 54.484 CB :: 37.262 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 :: 9.250 HA :: 4.391 HB2 :: 3.088 HB3 :: 3.017 HD21 :: 6.934 HD22 :: 7.583 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.256 ND2 :: 113.582 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y10 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>> CA :: 57.288 CB :: 39.057 CD1 :: 133.446 CE1 :: 118.143 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 :: 7.497 HA :: 4.167 HB2 :: 2.820 HB3 :: 2.745 HD1 :: 7.095 HE1 :: 6.813 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.687 Ave N Shift Values>> N :: 120.52(4.2) 1.P11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 177.130 CA :: 62.104 CB :: 30.442 CG :: 27.562 CD :: 50.381 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 :: 4.452 HB2 :: 2.063 HB3 :: 1.741 HG2 :: 1.751 HG3 :: 1.614 HD2 :: 3.512 HD3 :: 2.131(S) 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.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.665 CA :: 65.754 CB :: 31.463 CG1 :: 21.434 CG2 :: 20.628 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 :: 8.068 HA :: 3.799 HB :: 2.212 HG11 :: 1.109 HG12 :: 1.109 HG13 :: 1.109 HG21 :: 1.089 HG22 :: 1.089 HG23 :: 1.089 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 :: 124.086 Ave N Shift Values>> N :: 121.14(4.54) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.915 CA :: 61.044 CB :: 61.647 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.378 HA :: 4.144 HB2 :: 3.837 HB3 :: 3.837 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.391 Ave N Shift Values>> N :: 116.28(3.52) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.21 K 0.17 C Shift Assignments>> C :: 178.844 CA :: 59.705 CB :: 31.553 CG :: 27.175 CD :: 29.412 CE :: 41.702 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.841 HA :: 4.054 HB2 :: 1.919 HB3 :: 1.830 HG2 :: 1.422 HG3 :: 1.190 HD2 :: 1.468 HD3 :: 1.320 HE2 :: 2.728 HE3 :: 2.650 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.444 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.11 L 0.1 D 0.07 I 0.07 K 0.07 C Shift Assignments>> C :: 175.844 CA :: 58.013 CB :: 40.586 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.847 HA :: 4.751 HB2 :: 3.214 HB3 :: 3.010 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.810 Ave N Shift Values>> N :: 120.17(4.64) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.25 E 0.08 R 0.05 C Shift Assignments>> C :: 175.487 CA :: 56.460 CB :: 28.813 CG :: 33.994 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 :: 7.367 HA :: 4.227 HB2 :: 2.264 HB3 :: 2.013 HG2 :: 2.401 HG3 :: 2.381 HE21 :: 6.711 HE22 :: 7.296 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 :: 115.638 NE2 :: 110.810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.19 A 0.07 R 0.03 G 0.02 C Shift Assignments>> C :: 176.522 CA :: 53.388 CB :: 42.380 CG :: 26.642 CD1 :: 23.140 CD2 :: 25.354 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 :: 7.291 HA :: 4.515 HB2 :: 1.931 HB3 :: 1.578 HG :: 1.680 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 121.290 Ave N Shift Values>> N :: 121.86(3.9) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 I 0.01 C Shift Assignments>> C :: 179.058 CA :: 54.024 CB :: 18.182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.530 HA :: 4.127 HB1 :: 1.382 HB2 :: 1.382 HB3 :: 1.382 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.857 Ave N Shift Values>> N :: 123.23(3.54) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.19 D 0.18 N 0.18 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 175.237 CA :: 55.547 CB :: 39.228 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 :: 9.036 HA :: 4.601 HB2 :: 2.961 HB3 :: 2.817 HD21 :: 7.016 HD22 :: 7.575 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.191 ND2 :: 113.919 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.24 K 0.23 E 0.09 I 0.03 R 0.01 C Shift Assignments>> C :: 176.540 CA :: 59.480 CB :: 29.461 CG :: 34.026 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 :: 3.862 HB2 :: 2.427 HB3 :: 2.044 HG2 :: 2.648 HG3 :: 2.245 HE21 :: 6.715 HE22 :: 7.974 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 :: 123.119 NE2 :: 116.794 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.18 I 0.15 D 0.02 L 0.02 E 0.02 N 0.01 C Shift Assignments>> C :: 175.969 CA :: 58.450 CB :: 38.774 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.456 HA :: 4.303 HB2 :: 2.851 HB3 :: 2.520 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.290 Ave N Shift Values>> N :: 120.17(4.64) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.1 D 0.06 L 0.05 N 0.02 HN Overlap>> 1.K4 1.K4 C Shift Assignments>> C :: 175.933 CA :: 57.711 CB :: 39.241 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 :: 7.942 HA :: 3.835 HB2 :: 3.032 HB3 :: 2.731 HD21 :: 6.748 HD22 :: 7.372 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 :: 119.011 ND2 :: 112.289 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 178.0 CA :: 61.550 CB :: 38.378 CD1 :: 133.384 CE1 :: 118.453 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 :: 8.095 HA :: 3.954 HB2 :: 3.198 HB3 :: 3.126 HD1 :: 7.193 HE1 :: 6.851 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 :: 118.178 Ave N Shift Values>> N :: 120.52(4.2) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 L 0.1 D 0.08 I 0.07 K 0.06 N 0.01 C Shift Assignments>> C :: 179.987 CA :: 57.943 CB :: 40.520 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.057 HA :: 4.650 HB2 :: 3.160 HB3 :: 2.823 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.031 Ave N Shift Values>> N :: 120.65(3.86) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 C 0.29 Y 0.15 E 0.11 F 0.09 V 0.02 C Shift Assignments>> C :: 177.844 CA :: 60.587 CB :: 36.855 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.282 HA :: 4.128 HB2 :: 2.889 HB3 :: 2.298 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.278 Ave N Shift Values>> N :: 120.17(4.64) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.45 R 0.02 C Shift Assignments>> C :: 178.951 CA :: 59.282 CB :: 32.501 CG :: 24.306 CD :: 29.787 CE :: 41.583 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.655 HA :: 4.080 HB2 :: 1.703 HB3 :: 1.703 HG2 :: 1.431 HG3 :: 1.127 HD2 :: 1.637 HD3 :: 1.533 HE2 :: 2.972 HE3 :: 2.972 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 :: 120.127 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.01 G 0.01 C Shift Assignments>> C :: 178.576 CA :: 57.494 CB :: 42.289 CG :: 27.117 CD1 :: 23.910 CD2 :: 24.279 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 :: 8.262 HA :: 4.065 HB2 :: 1.641 HB3 :: 1.511 HG :: 1.601 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.123 Ave N Shift Values>> N :: 121.86(3.9) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.19 L 0.17 Y 0.17 C 0.09 K 0.06 N 0.05 I 0.02 C Shift Assignments>> C :: 178.451 CA :: 56.106 CB :: 40.546 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 :: 8.974 HA :: 4.510 HB2 :: 3.012 HB3 :: 2.797 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.057 Ave N Shift Values>> N :: 120.65(3.86) 1.K29 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.38 R 0.12 A 0.01 C Shift Assignments>> C :: 176.862 CA :: 53.238 CB :: 31.763 CG :: 24.530 CD :: 27.726 CE :: 41.224 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.616 HA :: 4.498 HB2 :: 2.326 HB3 :: 2.250 HG2 :: 1.196 HG3 :: 0.861 HD2 :: 1.242 HD3 :: 1.242 HE2 :: 2.174(S) HE3 :: 1.543(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 :: 112.334 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 H 0.38 C Shift Assignments>> C :: 174.040 CA :: 56.330 CB :: 25.776 CD2 :: 119.982 CE1 :: 136.419 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.020 HA :: 4.567 HB2 :: 3.522 HB3 :: 3.522 HD2 :: 7.218 HE1 :: 8.589 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 :: 113.215 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> C :: 175.540 CA :: 50.622 CB :: 19.182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.642 HA :: 4.093 HB1 :: 0.550 HB2 :: 0.550 HB3 :: 0.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.342 Ave N Shift Values>> N :: 123.23(3.54) 1.R32 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> R 0.42 C 0.4 K 0.12 G 0.03 C Shift Assignments>> C :: 176.737 CA :: 57.842 CB :: 30.644 CG :: 27.716 CD :: 43.060 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 :: 8.245 HA :: 4.150 HB2 :: 1.512 HB3 :: 1.397 HG2 :: 1.450 HG3 :: 1.326 HD2 :: 2.644 HD3 :: 2.479 HE :: 6.953 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 NE :: 116.754(A) 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.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.943 CB :: 65.202 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.993 HA :: 4.614 HB2 :: 4.126 HB3 :: 3.975 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 :: 109.427 Ave N Shift Values>> N :: 116.28(3.52) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 171.005 CA :: 46.999 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.600 HA2 :: 4.034 HA3 :: 4.822 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.678 Ave N Shift Values>> N :: 109.67(3.87) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.22 Q 0.13 C Shift Assignments>> C :: 174.344 CA :: 55.486 CB :: 32.755 CG :: 35.016 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 :: 8.265 HA :: 4.268 HB2 :: 2.019 HB3 :: 1.833 HG2 :: 2.024 HG3 :: 2.024 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 :: 118.950 Ave N Shift Values>> N :: 120.67(3.48) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 C 0.08 F 0.01 C Shift Assignments>> C :: 173.790 CA :: 56.460 CB :: 46.021 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.769 HA :: 6.123 HB2 :: 3.676 HB3 :: 2.517 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.587 Ave N Shift Values>> N :: 120.17(4.64) 1.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.33 G 0.14 C 0.13 HN Overlap>> 1.K5 1.K5 C Shift Assignments>> C :: 175.183 CA :: 56.650 CB :: 43.538 CD1 :: 132.558 CE1 :: 131.584 CZ :: 129.763 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.015 HA :: 4.711 HB2 :: 3.135 HB3 :: 2.731 HD1 :: 7.245 HE1 :: 7.327 HZ :: 7.212 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.213 Ave N Shift Values>> N :: 120.45(4.18) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 176.790 CA :: 58.603 CB :: 40.278 CD1 :: 133.055 CE1 :: 118.721 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 :: 8.613 HA :: 4.902 HB2 :: 2.853 HB3 :: 2.853 HD1 :: 6.893 HE1 :: 6.795 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.761 Ave N Shift Values>> N :: 120.52(4.2) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 C 0.05 F 0.05 Y 0.03 R 0.01 C Shift Assignments>> C :: 178.683 CA :: 52.303 CB :: 41.459 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 :: 8.588 HA :: 4.731 HB2 :: 3.324 HB3 :: 2.763 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.359 Ave N Shift Values>> N :: 120.65(3.86) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.16 K 0.09 Q 0.05 C Shift Assignments>> C :: 177.505 CA :: 59.022 CB :: 28.874 CG :: 36.096 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.025 HA :: 4.186 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.369 HG3 :: 2.369 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 :: 118.164 Ave N Shift Values>> N :: 120.67(3.48) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.33 R 0.2 C Shift Assignments>> C :: 175.505 CA :: 55.502 CB :: 31.998 CG :: 25.354 CD :: 28.875 CE :: 42.232 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 :: 8.121 HA :: 4.403 HB2 :: 2.051 HB3 :: 1.806 HG2 :: 1.448 HG3 :: 1.375 HD2 :: 1.697 HD3 :: 1.669 HE2 :: 3.009 HE3 :: 3.009 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 :: 120.189 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R42 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> L 0.38 C 0.35 K 0.14 R 0.1 G 0.01 C Shift Assignments>> C :: 175.094 CA :: 57.501 CB :: 26.418 CG :: 27.215 CD :: 42.522 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 :: 8.292 HA :: 3.620 HB2 :: 2.045 HB3 :: 2.045 HG2 :: 1.506 HG3 :: 1.450 HD2 :: 3.046 HD3 :: 3.046 HE :: 6.890 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 :: 113.669 NE :: 115.766(A) 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.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.22 C 0.07 F 0.06 L 0.06 Y 0.05 C Shift Assignments>> C :: 175.023 CA :: 52.789 CB :: 39.260 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 :: 8.711 HA :: 4.954 HB2 :: 2.953 HB3 :: 2.670 HD21 :: 6.941 HD22 :: 8.154 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 :: 118.342 ND2 :: 116.190 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.25 G 0.07 R 0.04 A 0.03 HN Overlap>> 1.C48 1.C48 C Shift Assignments>> C :: 175.701 CA :: 55.116 CB :: 43.239 CG :: 26.567 CD1 :: 23.147 CD2 :: 25.033 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 :: 8.459 HA :: 4.195 HB2 :: 1.500 HB3 :: 1.260 HG :: 1.287 HD11 :: 0.291 HD12 :: 0.291 HD13 :: 0.291 HD21 :: 0.415 HD22 :: 0.415 HD23 :: 0.415 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.152 Ave N Shift Values>> N :: 121.86(3.9) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 Q 0.25 E 0.01 C Shift Assignments>> C :: 174.683 CA :: 53.895 CB :: 32.581 CG :: 33.159 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 :: 8.451 HA :: 4.695 HB2 :: 2.053 HB3 :: 1.875 HG2 :: 2.313 HG3 :: 2.313 HE21 :: 6.686 HE22 :: 7.402 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 :: 120.724 NE2 :: 110.139 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 Y 0.17 C 0.16 F 0.14 D 0.1 E 0.05 L 0.03 I 0.02 C Shift Assignments>> C :: 172.094 CA :: 55.054 CB :: 38.177 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.183 HA :: 4.814 HB2 :: 2.510 HB3 :: 1.676 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.173 Ave N Shift Values>> N :: 120.17(4.64) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.826 CA :: 60.402 CB :: 38.345 CG1 :: 27.705 CG2 :: 18.044 CD1 :: 12.294 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 :: 8.712 HA :: 4.336 HB :: 2.138 HG12 :: 1.136 HG13 :: 1.594 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.422 Ave N Shift Values>> N :: 121.46(4.28) 1.C48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 C 0.33 E 0.07 K 0.03 Q 0.03 Y 0.03 F 0.01 HN Overlap>> 1.L44 1.L44 C Shift Assignments>> C :: 172.826 CA :: 51.668 CB :: 35.926 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.502 HA :: 5.288 HB2 :: 2.653 HB3 :: 2.595 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.245 Ave N Shift Values>> N :: 120.17(4.64) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.18 G 0.09 C 0.04 K 0.04 F 0.03 N 0.03 Y 0.01 C Shift Assignments>> C :: 176.290 CA :: 52.489 CB :: 43.074 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 :: 8.813 HA :: 5.472 HB2 :: 3.070 HB3 :: 2.304 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.648 Ave N Shift Values>> N :: 120.65(3.86) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 175.737 CA :: 59.414 CB :: 38.721 CD1 :: 133.629 CE1 :: 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 :: 9.651 HA :: 4.229 HB2 :: 3.453 HB3 :: 2.896 HD1 :: 7.326 HE1 :: 6.721 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 :: 125.389 Ave N Shift Values>> N :: 120.52(4.2) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.26 R 0.2 D 0.06 C 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.183 CA :: 55.035 CB :: 44.285 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.455 HA :: 4.438 HB2 :: 3.497 HB3 :: 3.124 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.595 Ave N Shift Values>> N :: 120.17(4.64) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.41 Q 0.11 K 0.03 C Shift Assignments>> C :: 174.505 CA :: 55.683 CB :: 31.225 CG :: 35.748 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 :: 8.351 HA :: 4.270 HB2 :: 1.985 HB3 :: 1.757 HG2 :: 2.242 HG3 :: 2.151 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 :: 121.264 Ave N Shift Values>> N :: 120.67(3.48) 1.Y53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> CA :: 59.467 CB :: 39.517 CD1 :: 133.529 CE1 :: 118.170 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 :: 7.722 HA :: 4.206 HB2 :: 3.132 HB3 :: 2.762 HD1 :: 7.146 HE1 :: 6.833 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.569 Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 49 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 53 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 52 #Suspicious: 1 C Shift Results: #Consistent: 221 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 346 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 57 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.P11 HD3 = 2.131(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.4925e-04 1.K29 HE2 = 2.174(S), Expected = 2.92, Std = 0.1900, ChiSquare = 8.6257e-05 1.K29 HE3 = 1.543(S), Expected = 2.91, Std = 0.2000, ChiSquare = 8.2005e-12 1.K29 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K29 SRO Rule Break>> HE3 > HB2 : 0.99703557312253 1.K29 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.K29 SRO Rule Break>> HE3 > HB3 : 0.997380484610347 1.R32 NE = 116.754(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.6746e-81 1.R42 NE = 115.766(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.1118e-76