Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.631 HA2 :: 3.649 HA3 :: 3.771 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.300 Ave N Shift Values>> N :: 109.67(3.87) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.05 C Shift Assignments>> CA :: 60.816 CB :: 35.455 CG1 :: 25.640 CG2 :: 14.678 CD1 :: 10.319 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 :: 3.945 HB :: 1.789 HG12 :: 1.192 HG13 :: 1.416 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 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 :: 122.148 Ave N Shift Values>> N :: 121.46(4.28) 1.K3 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 L 0.07 A 0.01 HN Overlap>> 1.D25 1.E4 1.D25 1.E4 C Shift Assignments>> CA :: 57.241 CB :: 29.275 CG :: 22.649 CD :: 26.375 CE :: 39.276 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 :: 8.426 HA :: 3.881 HB2 :: 1.762 HB3 :: 1.670 HG2 :: 1.321 HG3 :: 1.470 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.887 HE3 :: 2.887 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 :: 120.823 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.34 Q 0.17 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> CA :: 57.433 CB :: 26.152 CG :: 33.184 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 :: 8.415 HA :: 3.827 HB2 :: 1.979 HB3 :: 1.943 HG2 :: 2.253 HG3 :: 2.172 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 :: 120.898 Ave N Shift Values>> N :: 120.67(3.48) 1.M5 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 A 0.05 G 0.01 C Shift Assignments>> CA :: 55.764 CB :: 23.130(S) CG :: 48.728(A) CE :: 36.565(S) 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 :: 8.009 HA :: 4.202 HB2 :: 2.280 HB3 :: 2.213 HG2 :: 3.010 HG3 :: 2.841 HE1 :: 2.580 HE2 :: 2.580 HE3 :: 2.580 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 :: 118.829 Ave N Shift Values>> N :: 120.09(3.57) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 C 0.44 C Shift Assignments>> CA :: 55.313 CB :: 38.679 CG :: 23.924 CD1 :: 22.684 CD2 :: 19.855 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 :: 8.504 HA :: 3.971 HB2 :: 1.749 HB3 :: 1.420 HG :: 1.752 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 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 :: 121.066 Ave N Shift Values>> N :: 121.86(3.9) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.21 M 0.2 H 0.14 E 0.1 Q 0.07 V 0.03 C Shift Assignments>> CA :: 57.188 CB :: 32.111 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.834 HA :: 4.196 HB2 :: 3.254 HB3 :: 2.820 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 :: 121.224 Ave N Shift Values>> N :: 120.17(4.64) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 E 0.2 M 0.19 N 0.17 K 0.06 Q 0.05 C Shift Assignments>> CA :: 54.040 CB :: 35.911 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 :: 8.574 HA :: 4.203 HB2 :: 2.748 HB3 :: 2.701 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 :: 120.641 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M9 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 G 0.09 A 0.06 C Shift Assignments>> CA :: 55.598 CB :: 22.931(S) CG :: 47.838(A) CE :: 36.547(S) 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 :: 8.217 HA :: 4.144 HB2 :: 2.236 HB3 :: 2.263 HG2 :: 3.021 HG3 :: 2.733 HE1 :: 2.567 HE2 :: 2.567 HE3 :: 2.567 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 :: 120.493 Ave N Shift Values>> N :: 120.09(3.57) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.34 I 0.02 C 0.02 C Shift Assignments>> CA :: 52.643 CB :: 14.449 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.856 HA :: 4.211 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.843 Ave N Shift Values>> N :: 123.23(3.54) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.24 E 0.17 Q 0.14 K 0.11 N 0.04 H 0.02 C Shift Assignments>> CA :: 54.799 CB :: 35.199 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.006 HA :: 4.265 HB2 :: 3.067 HB3 :: 3.045 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 :: 116.927 Ave N Shift Values>> N :: 120.17(4.64) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.44 C 0.01 C Shift Assignments>> CA :: 52.694 CB :: 15.504 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.222 HA :: 3.731 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.914 Ave N Shift Values>> N :: 123.23(3.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 Q 0.05 C Shift Assignments>> CA :: 53.473 CB :: 27.030 CG :: 31.248 CD :: 177.405 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 :: 7.553 HA :: 4.185 HB2 :: 2.200 HB3 :: 2.062 HG2 :: 2.471 HG3 :: 2.405 HE21 :: 7.315 HE22 :: 6.852 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 :: 111.924 NE2 :: 111.168 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 C 0.27 S 0.11 T 0.01 C Shift Assignments>> CA :: 57.095 CB :: 67.655 CG2 :: 18.380 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 :: 7.432 HA :: 4.495 HB :: 4.264 HG21 :: 1.158 HG22 :: 1.158 HG23 :: 1.158 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 :: 108.632 Ave N Shift Values>> N :: 115.42(4.75) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.08 V 0.01 C Shift Assignments>> CA :: 61.243 CB :: 29.559 CG1 :: 17.419 CG2 :: 19.534 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 :: 8.809 HA :: 4.087 HB :: 2.085 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 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 :: 118.305 Ave N Shift Values>> N :: 121.14(4.54) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 L 0.22 N 0.21 K 0.07 C 0.06 C Shift Assignments>> CA :: 52.910 CB :: 41.124 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.132 HA :: 4.891 HB2 :: 3.313 HB3 :: 2.763 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 :: 116.073 Ave N Shift Values>> N :: 120.17(4.64) 1.K17 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 A 0.09 L 0.02 C Shift Assignments>> CA :: 56.094 CB :: 30.063 CG :: 22.133 CD :: 26.346 CE :: 39.322 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 :: 7.227 HA :: 3.988 HB2 :: 1.696 HB3 :: 1.696 HG2 :: 1.299 HG3 :: 1.299 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 2.896 HE3 :: 2.896 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 :: 120.889 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K18 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 A 0.3 L 0.02 C Shift Assignments>> C :: 174.119 CA :: 54.219 CB :: 29.953 CG :: 22.175 CD :: 26.345 CE :: 39.294 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 :: 8.132 HA :: 4.172 HB2 :: 1.805 HB3 :: 1.700 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 2.888 HE3 :: 2.888 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 :: 117.661 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.417 CB :: 61.546 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.765 HA :: 4.373 HB2 :: 3.830 HB3 :: 3.765 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 :: 113.189 Ave N Shift Values>> N :: 116.28(3.52) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 K 0.29 D 0.17 C 0.04 I 0.03 N 0.01 C Shift Assignments>> CA :: 42.222 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.177 HA2 :: 4.117 HA3 :: 3.820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.859 Ave N Shift Values>> N :: 109.67(3.87) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.34 D 0.19 C 0.04 I 0.03 N 0.01 C Shift Assignments>> CA :: 42.040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.617 HA2 :: 4.437 HA3 :: 3.853 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.511 Ave N Shift Values>> N :: 109.67(3.87) 1.P22 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 G 0.37 C Shift Assignments>> CA :: 62.765 CB :: 29.457 CG :: 24.590 CD :: 47.001(S) 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 :: 4.255 HB2 :: 1.869 HB3 :: 2.298 HG2 :: 1.902 HG3 :: 1.983 HD2 :: 3.545 HD3 :: 3.676 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.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 C 0.44 C Shift Assignments>> CA :: 55.077 CB :: 38.438 CG :: 24.450 CD1 :: 22.084 CD2 :: 20.314 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 :: 8.458 HA :: 4.090 HB2 :: 1.336 HB3 :: 1.699 HG :: 1.598 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 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 :: 117.915 Ave N Shift Values>> N :: 121.86(3.9) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.28 M 0.14 N 0.08 K 0.05 Q 0.02 I 0.02 C Shift Assignments>> CA :: 55.876 CB :: 36.379 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.495 HA :: 4.192 HB2 :: 3.210 HB3 :: 3.163 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 :: 119.229 Ave N Shift Values>> N :: 120.17(4.64) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.27 E 0.23 M 0.11 D 0.03 K 0.02 I 0.01 HN Overlap>> 1.K3 1.K3 C Shift Assignments>> CA :: 54.793 CB :: 36.900 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 :: 8.394 HA :: 4.253 HB2 :: 2.670 HB3 :: 2.621 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 :: 120.777 Ave N Shift Values>> N :: 120.65(3.86) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 S 0.36 T 0.19 C Shift Assignments>> CA :: 63.816 CB :: 66.015 CG2 :: 18.781 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 :: 8.335 HA :: 3.860 HB :: 4.079 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.552 Ave N Shift Values>> N :: 115.42(4.75) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 M 0.09 I 0.07 K 0.06 Q 0.04 V 0.02 C Shift Assignments>> CA :: 58.413 CB :: 35.903 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.555 HA :: 4.155 HB2 :: 3.357 HB3 :: 3.006 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 :: 123.341 Ave N Shift Values>> N :: 120.17(4.64) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 Q 0.05 C Shift Assignments>> CA :: 56.491 CB :: 25.720 CG :: 31.999 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 :: 8.290 HA :: 3.924 HB2 :: 2.033 HB3 :: 1.991 HG2 :: 2.620 HG3 :: 2.219 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 :: 116.812 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.46 C 0.01 C Shift Assignments>> CA :: 52.243 CB :: 15.109 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.374 HA :: 4.019 HB1 :: 1.405 HB2 :: 1.405 HB3 :: 1.405 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.116 Ave N Shift Values>> N :: 123.23(3.54) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.46 C 0.01 I 0.01 C Shift Assignments>> CA :: 51.882 CB :: 14.648 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.640 HA :: 4.148 HB1 :: 1.457 HB2 :: 1.457 HB3 :: 1.457 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.609 Ave N Shift Values>> N :: 123.23(3.54) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.24 M 0.23 C 0.21 K 0.1 H 0.09 Q 0.08 E 0.01 C Shift Assignments>> CA :: 52.015 CB :: 32.631 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.488 HA :: 4.549 HB2 :: 3.081 HB3 :: 3.003 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 :: 115.487 Ave N Shift Values>> N :: 120.17(4.64) 1.K32 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 A 0.13 L 0.04 C Shift Assignments>> CA :: 55.407 CB :: 29.823 CG :: 22.314 CD :: 26.238 CE :: 39.205 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 :: 7.632 HA :: 4.034 HB2 :: 1.847 HB3 :: 1.795 HG2 :: 1.490 HG3 :: 1.363 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 2.864 HE3 :: 2.864 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 :: 119.508 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.25 C 0.01 C Shift Assignments>> CA :: 50.368 CB :: 15.707 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.572 HA :: 4.205 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.344 Ave N Shift Values>> N :: 123.23(3.54) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 C 0.16 C Shift Assignments>> CA :: 53.191 CB :: 39.373 CG :: 23.837 CD1 :: 23.078 CD2 :: 20.261 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 :: 7.605 HA :: 4.153 HB2 :: 1.452 HB3 :: 1.747 HG :: 1.778 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 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 :: 118.716 Ave N Shift Values>> N :: 121.86(3.9) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 K 0.26 D 0.16 C 0.04 I 0.03 N 0.01 G 0.01 C Shift Assignments>> CA :: 42.357 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.926 HA2 :: 3.867 HA3 :: 3.780 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.316 Ave N Shift Values>> N :: 109.67(3.87) 1.NH236 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 28 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 7 #Indeterminable: 0 Typing Results: #Consistent: 27 #Suspicious: 0 #Mistyped: 7 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 35 #Suspicious: 0 C Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 2 H Shift Results: #Consistent: 223 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 35 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K3 Typing: Mistyped 1.M5 Typing: Mistyped 1.M5 CB = 23.130(S), Expected = 32.99, Std = 2.2400, ChiSquare = 1.0736e-05 1.M5 CG = 48.728(A), Expected = 32.01, Std = 1.2400, ChiSquare = 1.9892e-41 1.M5 CE = 36.565(S), Expected = 17.07, Std = 1.5800, ChiSquare = 5.6118e-35 1.M9 Typing: Mistyped 1.M9 CB = 22.931(S), Expected = 32.99, Std = 2.2400, ChiSquare = 7.1014e-06 1.M9 CG = 47.838(A), Expected = 32.01, Std = 1.2400, ChiSquare = 2.5875e-37 1.M9 CE = 36.547(S), Expected = 17.07, Std = 1.5800, ChiSquare = 6.4642e-35 1.K17 Typing: Mistyped 1.K18 Typing: Mistyped 1.P22 Typing: Mistyped 1.P22 CD = 47.001(S), Expected = 50.32, Std = 0.9900, ChiSquare = 8.0078e-04 1.K32 Typing: Mistyped