Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.204 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.334 HA2 :: 3.931 HA3 :: 3.868 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.203 Ave N Shift Values>> N :: 109.67(3.87) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.29 G 0.17 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> CA :: 55.001 CB :: 43.955 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 :: 8.344 HA :: 4.416 HB2 :: 1.636 HB3 :: 1.636 HG :: 1.514 HD11 :: 0.714 HD12 :: 0.714 HD13 :: 0.714 HD21 :: 0.714 HD22 :: 0.714 HD23 :: 0.714 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 :: 121.139 Ave N Shift Values>> N :: 121.86(3.9) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.24 R 0.12 C 0.04 F 0.03 Y 0.01 C Shift Assignments>> CA :: 44.497 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.344 HA2 :: 4.200 HA3 :: 4.028 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.320 Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Unknown N Shifts: Consistent PRTL>> L 0.38 F 0.19 Y 0.14 N 0.14 C 0.1 R 0.02 C Shift Assignments>> CA :: 54.781 CB :: 41.1252(S) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.494 HA :: 3.988 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 1.585 HG3 :: 1.474 HD2 :: 1.722 HD3 :: 1.290 HE2 :: 3.030 HE3 :: 3.030 HZ1 :: 7.385(U) HZ2 :: 7.385(U) HZ3 :: 7.385(U) 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 :: 119.456 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 I 0.1 C 0.06 V 0.01 C Shift Assignments>> CA :: 55.360 CB :: 18.172 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.748 HA :: 4.264 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 123.23(3.54) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.18 I 0.18 K 0.15 Q 0.12 R 0.09 L 0.01 V 0.01 C Shift Assignments>> CA :: 59.309 CB :: 28.519 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 :: 8.148 HA :: 4.217 HB2 :: 2.290 HB3 :: 2.012 HG2 :: 2.555 HG3 :: 2.456 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 :: 119.671 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 F 0.26 Y 0.22 C 0.15 K 0.03 L 0.01 C Shift Assignments>> CA :: 60.891 CB :: 40.744 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.623 HA :: 4.636 HB2 :: 3.173 HB3 :: 3.173 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 :: 119.391 Ave N Shift Values>> N :: 120.17(4.64) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 I 0.16 C 0.07 C Shift Assignments>> CA :: 55.588 CB :: 17.749 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.498 HA :: 4.404 HB1 :: 1.602 HB2 :: 1.602 HB3 :: 1.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.035 Ave N Shift Values>> N :: 123.23(3.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 I 0.1 C 0.06 C Shift Assignments>> CA :: 55.352 CB :: 18.019 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.724 HA :: 4.277 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.921 Ave N Shift Values>> N :: 123.23(3.54) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.22 F 0.1 G 0.09 C 0.08 Y 0.06 K 0.04 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> CA :: 57.752 CB :: 43.619 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 :: 8.184 HA :: 4.244 HB2 :: 2.395 HB3 :: 2.020 HG :: 1.850 HD11 :: 1.126 HD12 :: 1.126 HD13 :: 1.126 HD21 :: 1.041 HD22 :: 1.041 HD23 :: 1.041 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 :: 119.961 Ave N Shift Values>> N :: 121.86(3.9) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.24 W 0.14 K 0.07 R 0.07 Q 0.06 L 0.01 V 0.01 C Shift Assignments>> CA :: 60.555 CB :: 28.132 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 :: 8.788 HA :: 3.701 HB2 :: 3.697 HB3 :: 3.280 HD1 :: 6.902 HE1 :: 9.976 HE3 :: 6.270 HZ2 :: 7.352 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 :: 120.212 NE1 :: 128.588 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.2 Y 0.15 L 0.15 C 0.09 R 0.08 I 0.03 C Shift Assignments>> CA :: 58.041 CB :: 41.819 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 :: 7.733 HA :: 3.803 HB2 :: 1.864 HB3 :: 1.685 HG :: 1.849 HD11 :: 0.959 HD12 :: 0.959 HD13 :: 0.959 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.556 Ave N Shift Values>> N :: 121.86(3.9) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.2 K 0.18 Q 0.15 R 0.11 I 0.1 V 0.01 L 0.01 C Shift Assignments>> CA :: 58.688 CB :: 29.016 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 :: 7.738 HA :: 3.947 HB2 :: 2.153 HB3 :: 1.990 HG2 :: 2.517 HG3 :: 2.303 HE21 :: 7.597 HE22 :: 6.943 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.567 NE2 :: 112.561 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.28 C 0.19 I 0.12 L 0.03 N 0.02 C Shift Assignments>> CA :: 57.758 CB :: 38.714 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.213 HA :: 4.335 HB2 :: 2.564 HB3 :: 2.564 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.351 Ave N Shift Values>> N :: 120.17(4.64) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 I 0.02 C Shift Assignments>> CA :: 54.049 CB :: 17.783 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.173 HA :: 3.766 HB1 :: 0.717 HB2 :: 0.717 HB3 :: 0.717 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.693 Ave N Shift Values>> N :: 123.23(3.54) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.453 CB :: 63.733 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.607 HA :: 4.337 HB2 :: 3.918 HB3 :: 3.918 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 :: 111.866 Ave N Shift Values>> N :: 116.28(3.52) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.606 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.841 HA2 :: 3.997 HA3 :: 3.997 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.738 Ave N Shift Values>> N :: 109.67(3.87) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.158 HA2 :: 4.054 HA3 :: 3.944 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.279 Ave N Shift Values>> N :: 109.67(3.87) 1.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.334 CB :: 69.872 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 :: 8.064 HA :: 4.359 HB :: 4.261 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 113.347 Ave N Shift Values>> N :: 115.42(4.75) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.18 Y 0.15 F 0.12 C Shift Assignments>> CA :: 61.909 CB :: 38.328 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 :: 8.061 HA :: 4.145 HB :: 1.883 HG12 :: 1.512 HG13 :: 1.512 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.333 Ave N Shift Values>> N :: 121.46(4.28) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.302 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.423 HA2 :: 4.061 HA3 :: 3.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.495 Ave N Shift Values>> N :: 109.67(3.87) 1.C22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.39 C 0.36 K 0.07 Q 0.05 W 0.03 I 0.03 R 0.02 Y 0.01 C Shift Assignments>> CA :: 61.077 CB :: 33.832 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.284 HA :: 4.673 HB2 :: 3.274 HB3 :: 3.035 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 :: 120.376 Ave N Shift Values>> N :: 120.17(4.64) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.985 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.656 HA2 :: 4.075 HA3 :: 3.957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.782 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.478 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.371 HA2 :: 3.986 HA3 :: 3.986 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.819 Ave N Shift Values>> N :: 109.67(3.87) 1.G25 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>> CA :: 46.140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.397 HA2 :: 3.907 HA3 :: 3.907 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.405 Ave N Shift Values>> N :: 109.67(3.87) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 C 0.05 I 0.03 L 0.01 V 0.01 C Shift Assignments>> CA :: 54.815 CB :: 18.820 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.064 HA :: 4.161 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.138 Ave N Shift Values>> N :: 123.23(3.54) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.14 I 0.02 HN Overlap>> 1.L10 1.L10 C Shift Assignments>> CA :: 65.836 CB :: 31.908 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 :: 8.102 HA :: 3.775 HB :: 2.059 HG11 :: 1.070 HG12 :: 1.070 HG13 :: 1.070 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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 :: 119.932 Ave N Shift Values>> N :: 121.14(4.54) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 I 0.14 C 0.08 V 0.02 C Shift Assignments>> CA :: 55.751 CB :: 18.360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.032 HA :: 4.249 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.939 Ave N Shift Values>> N :: 123.23(3.54) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.28 C 0.18 I 0.08 N 0.06 L 0.05 C Shift Assignments>> CA :: 56.997 CB :: 38.880 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.278 HA :: 4.452 HB2 :: 3.211 HB3 :: 3.082 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.339 Ave N Shift Values>> N :: 120.17(4.64) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.18 W 0.16 K 0.14 Q 0.12 R 0.11 L 0.03 C Shift Assignments>> CA :: 59.203 CB :: 28.233 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 :: 8.118 HA :: 4.086 HB2 :: 2.208 HB3 :: 2.208 HG2 :: 2.417 HG3 :: 2.417 HE21 :: 7.416 HE22 :: 6.851 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 :: 121.500 NE2 :: 111.492 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 I 0.25 F 0.24 C 0.2 C Shift Assignments>> CA :: 59.417 CB :: 38.533 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 :: 8.724 HA :: 4.532 HB2 :: 3.008 HB3 :: 2.874 HD21 :: 7.417 HD22 :: 7.088 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 :: 119.134 ND2 :: 111.448 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.15 Y 0.1 F 0.09 C Shift Assignments>> CA :: 62.984 CB :: 38.643 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 :: 8.869 HA :: 3.895 HB2 :: 3.362 HB3 :: 3.203 HD1 :: 7.270 HD2 :: 7.270 HE1 :: 6.886 HE2 :: 6.886 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 :: 122.198 Ave N Shift Values>> N :: 120.52(4.2) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 W 0.24 R 0.15 Q 0.11 K 0.09 I 0.07 V 0.05 C Shift Assignments>> CA :: 59.299 CB :: 30.135 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.068 HA :: 3.904 HB2 :: 2.031 HB3 :: 1.956 HG2 :: 1.707 HG3 :: 1.707 HD2 :: 3.301 HD3 :: 3.229 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 :: 117.088 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.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 C 0.2 K 0.18 Q 0.17 R 0.14 I 0.06 V 0.01 C Shift Assignments>> CA :: 58.242 CB :: 29.327 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 :: 7.705 HA :: 3.947 HB2 :: 1.688 HB3 :: 1.299 HG2 :: 1.822 HG3 :: 1.822 HE21 :: 7.284 HE22 :: 6.766 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 :: 115.563 NE2 :: 110.644 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.22 Y 0.19 L 0.12 C 0.1 I 0.05 R 0.03 C Shift Assignments>> CA :: 58.275 CB :: 41.424 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.993 HA :: 4.986 HB2 :: 3.339 HB3 :: 2.879 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 :: 113.257 Ave N Shift Values>> N :: 120.45(4.18) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.32 K 0.11 F 0.08 C 0.05 Y 0.05 G 0.03 C Shift Assignments>> CA :: 55.826 CB :: 43.065 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.095 HA :: 4.857 HB2 :: 2.622 HB3 :: 2.162 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 :: 117.360 Ave N Shift Values>> N :: 120.17(4.64) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.13 K 0.12 R 0.11 F 0.11 C 0.11 Y 0.11 Q 0.1 S 0.07 L 0.06 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.350 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 :: 7.524 HA :: 4.186 HB2 :: 1.893 HB3 :: 1.762 HG2 :: 1.603 HG3 :: 1.531 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 :: 125.329 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.entity_GLC1 Overall Status: Residue type entity_GLC not supported. ########################################################################### Overall Results: #Consistent: 36 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 36 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 37 #Suspicious: 0 C Shift Results: #Consistent: 64 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 217 #Duplicate: 0 #Unknown: 3 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 42 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K4 Typing: Suspicious 1.K4 CB = 41.1252(S), Expected = 32.79, Std = 1.7800, ChiSquare = 2.8313e-06 1.K4 HZ1 = 7.385(U) 1.K4 HZ2 = 7.385(U) 1.K4 HZ3 = 7.385(U)