Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> M 0.33 C 0.3 K 0.14 E 0.08 N 0.06 H 0.03 R 0.02 C Shift Assignments>> CA :: 53.411 CB :: 34.757 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 :: 8.288 HA :: 4.59 HB2 :: 2.718 HB3 :: 3.079 HD21 :: 7.682 HD22 :: 6.567 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 :: 126.431 ND2 :: 58.205(A) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.25 K 0.17 G 0.06 R 0.01 C Shift Assignments>> CA :: 59.59 CB :: 43.071 CG :: 27.649 CD1 :: 24.011 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 :: 7.297 HA :: 3.792 HB3 :: 2.137 HG :: 1.287 HD11 :: 0.968 HD12 :: 0.968 HD13 :: 0.968 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 :: 118.848 Ave N Shift Values>> N :: 121.86(3.9) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> CA :: 64.553 CB :: 35.566 CG1 :: 21.172 CG2 :: 21.221 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.135 HA :: 3.704 HB :: 2.099 HG11 :: 1.066 HG12 :: 1.066 HG13 :: 1.066 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.018 Ave N Shift Values>> N :: 121.14(4.54) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.647 CB :: 63.8 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.205 HA :: 4.131 HB3 :: 3.901 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 :: 114.916 Ave N Shift Values>> N :: 116.28(3.52) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.29 D 0.12 L 0.11 N 0.03 E 0.01 C Shift Assignments>> CA :: 58.044 CB :: 39.353 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 :: 8.285 HA :: 4.584 HB2 :: 2.713 HB3 :: 3.077 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 :: 122.69 Ave N Shift Values>> N :: 120.65(3.86) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 C 0.04 C Shift Assignments>> CA :: 68.973 CB :: 39.511 CG1 :: 29.258 CG2 :: 17.907 CD1 :: 14.452 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 :: 8.395 HA :: 3.801 HB :: 2.132 HG13 :: 1.218 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 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 :: 124.621 Ave N Shift Values>> N :: 121.46(4.28) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> CA :: 67.282 CB :: 38.65 CG1 :: 29.033 CG2 :: 18.1 CD1 :: 14.947 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 :: 8.586 HA :: 3.744 HB :: 1.829 HG13 :: 1.145 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 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 :: 121.417 Ave N Shift Values>> N :: 121.46(4.28) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.19 R 0.07 C 0.04 D 0.01 C Shift Assignments>> CA :: 44.75 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.667 HA2 :: 3.883 HA3 :: 4.078 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.306 Ave N Shift Values>> N :: 109.67(3.87) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.399 CB :: 63.269 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.188 HA :: 4.398 HB3 :: 4.222 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.301 Ave N Shift Values>> N :: 116.28(3.52) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.36 K 0.12 G 0.02 C Shift Assignments>> CA :: 59.767 CB :: 33.079 CG :: 27.003 CD :: 29.771 CE :: 42.726 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 :: 8.307 HA :: 4.162 HB3 :: 2.076 HG3 :: 1.418 HD3 :: 1.673 HE3 :: 3.006 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 :: 125.111 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.38 G 0.12 K 0.04 C Shift Assignments>> CA :: 57.7 CB :: 33.146 CG :: 27.04 CD :: 29.088 CE :: 43.834 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 :: 8.571 HA :: 4.198 HB3 :: 1.944 HG3 :: 1.584 HD3 :: 1.755 HE3 :: 3.028 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 :: 119.093 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 C 0.19 R 0.18 H 0.18 K 0.1 M 0.07 I 0.02 V 0.01 C Shift Assignments>> CA :: 57.814 CB :: 30.14 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.238 HA :: 4.423 HB3 :: 3.365 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 :: 121.531 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.41 E 0.02 C Shift Assignments>> CA :: 57.283 CB :: 32.687 CG :: 33.273 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.311 HA :: 4.344 HB2 :: 2.354 HB3 :: 2.248 HG3 :: 2.749 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.565 Ave N Shift Values>> N :: 120.09(3.57) 1.E14 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 59.59 CB :: 36.669(S) CG :: 37.608 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 :: 8.484 HA :: 3.979 HB2 :: 2.148 HB3 :: 2.29 HG3 :: 2.68 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 :: 118.704 Ave N Shift Values>> N :: 120.67(3.48) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.36 R 0.1 C Shift Assignments>> CA :: 60.728 CB :: 32.041 CG :: 25.988 CD :: 29.587 CE :: 44.5 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 :: 8.146 HA :: 4.131 HB2 :: 1.897 HB3 :: 2.066 HG3 :: 1.537 HD3 :: 1.738 HE3 :: 2.98 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 :: 121.972 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.35 L 0.15 R 0.07 G 0.01 C Shift Assignments>> CA :: 59.393 CB :: 42.552 CG :: 28.239 CD1 :: 24.98 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 :: 7.894 HA :: 4.121 HB3 :: 2.061 HG :: 1.359 HD11 :: 0.95 HD12 :: 0.95 HD13 :: 0.95 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 :: 121.313 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> CA :: 65.883 CB :: 38.83 CG1 :: 30.883 CG2 :: 17.23 CD1 :: 13.07 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 :: 8.651 HA :: 3.745 HB :: 1.994 HG13 :: 1.284 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 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 :: 118.752 Ave N Shift Values>> N :: 121.46(4.28) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.087 CB :: 62.436 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.934 HA :: 4.206 HB3 :: 4.069 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.874 Ave N Shift Values>> N :: 116.28(3.52) 1.I19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> CA :: 66.454 CB :: 39.405 CG1 :: 31.04 CG2 :: 17.905 CD1 :: 13.22 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.987 HA :: 3.828 HB :: 2.203 HG13 :: 1.408 HG21 :: 1.161 HG22 :: 1.161 HG23 :: 1.161 HD11 :: 0.985 HD12 :: 0.985 HD13 :: 0.985 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 :: 124.897 Ave N Shift Values>> N :: 121.46(4.28) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 69.019 CB :: 38.65 CG1 :: 30.183 CG2 :: 18.25 CD1 :: 14.12 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 :: 8.522 HA :: 3.664 HB :: 2.044 HG13 :: 1.167 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 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 :: 122.89 Ave N Shift Values>> N :: 121.46(4.28) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 K 0.14 R 0.12 HN Overlap>> 1.I17 1.I17 C Shift Assignments>> CA :: 61.124 CB :: 34.003 CG :: 26.062 CD :: 30.878 CE :: 41.644 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.692 HA :: 4.003 HB3 :: 2.019 HG3 :: 1.462 HD3 :: 1.724 HE3 :: 3.026 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 :: 118.799 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.37 R 0.08 C Shift Assignments>> CA :: 58.977 CB :: 34.387 CG :: 25.411 CD :: 31.211 CE :: 44.771(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 :: 7.91 HA :: 4.207 HB3 :: 2.107 HG3 :: 1.564 HD3 :: 1.672 HE3 :: 3.048 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 :: 119.532 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 H 0.18 C 0.17 E 0.16 R 0.12 L 0.05 M 0.03 I 0.03 C Shift Assignments>> CA :: 56.508 CB :: 28.618 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.373 HA :: 4.39 HB2 :: 2.957 HB3 :: 3.105 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 :: 117.326 Ave N Shift Values>> N :: 120.17(4.64) 1.R24 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Suspicious H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.93 K 0.06 C Shift Assignments>> CA :: 59.35 CB :: 29.955 CG :: 27.483 CD :: 35.252(S) 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 :: 8.258 HA :: 4.332 HB2 :: 1.926 HB3 :: 2.029 HG3 :: 1.843 HD3 :: 44.092(A) 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 :: 120.173 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (H > HD3 : 1.0000) 1.NH225 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 20 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 2 #Indeterminable: 0 Typing Results: #Consistent: 22 #Suspicious: 0 #Mistyped: 2 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 23 #Suspicious: 1 C Shift Results: #Consistent: 84 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 148 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 N Shift Results: #Consistent: 24 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.N1 ND2 = 58.205(A), Expected = 112.75, Std = 2.2300, ChiSquare = 0.0000e+00 1.E14 Typing: Mistyped 1.E14 CB = 36.669(S), Expected = 30.01, Std = 1.7200, ChiSquare = 1.0816e-04 1.K22 CE = 44.771(S), Expected = 41.89, Std = 0.8200, ChiSquare = 4.4239e-04 1.R24 Typing: Mistyped 1.R24 CD = 35.252(S), Expected = 43.16, Std = 0.8800, ChiSquare = 2.5555e-19 1.R24 HD3 = 44.092(A), Expected = 3.10, Std = 0.2600, ChiSquare = 0.0000e+00 1.R24 SRO Rule Break>> H > HD3 : 1