Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> W 0.92 H 0.07 C Shift Assignments>> CA :: 53.098 CB :: 28.867 CD2 :: 129.936 CE1 :: 134.632 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>> HA :: 4.409 HB2 :: 2.898 HB3 :: 3.225 HD2 :: 6.934 HE1 :: 7.854 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) 1.P4 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.98 C Shift Assignments>> CA :: 60.186 CB :: 29.541 CG :: 24.437 CD :: 45.953(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 :: 3.972 HB2 :: 2.153 HB3 :: 2.153 HG2 :: 1.641 HG3 :: 1.641 HD2 :: 1.684(S) HD3 :: 1.684(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.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.3 G 0.26 D 0.04 Y 0.02 C Shift Assignments>> C :: 175.807 CA :: 43.979 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.315 HA2 :: 3.691 HA3 :: 3.691 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.940 Ave N Shift Values>> N :: 109.67(3.87) 1.H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.87 H 0.12 C Shift Assignments>> C :: 171.192 CA :: 53.404 CB :: 27.292 CD2 :: 130.501 CE1 :: 136.175 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 :: 7.457 HA :: 4.511 HB2 :: 2.795 HB3 :: 3.180 HD2 :: 6.819 HE1 :: 7.584 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 :: 114.183 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L7 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 172.872 CA :: 51.661 CB :: 39.808 CG :: 23.515 CD1 :: 23.641 CD2 :: 18.553 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 :: 6.540 HA :: 3.903 HB2 :: 0.575 HB3 :: 1.294 HG :: 0.721 HD11 :: 0.467 HD12 :: 0.467 HD13 :: 0.467 HD21 :: 0.432 HD22 :: 0.432 HD23 :: 0.432 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 :: 121.536 Ave N Shift Values>> N :: 121.86(3.9) 1.K8 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 172.587 CA :: 51.252 CB :: 33.375 CG :: 21.479 CD :: 25.920 CE :: 38.986(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 :: 8.492 HA :: 4.508 HB2 :: 1.532 HB3 :: 1.637 HG2 :: 1.369 HG3 :: 1.356 HD2 :: 1.613 HD3 :: 1.613 HE2 :: 2.924 HE3 :: 2.944 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 :: 119.261 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.33 G 0.2 D 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.090 CA :: 43.824 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.694 HA2 :: 3.756 HA3 :: 3.756 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.295 Ave N Shift Values>> N :: 109.67(3.87) 1.R10 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.92 K 0.06 C Shift Assignments>> C :: 171.915 CA :: 55.701 CB :: 26.571 CG :: 24.450 CD :: 40.345 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 :: 8.798 HA :: 3.036 HB2 :: 1.007 HB3 :: 1.239 HG2 :: 0.444(S) HG3 :: 1.300 HD2 :: 3.000 HD3 :: 3.000 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 :: 126.817 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.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.3 R 0.22 M 0.04 E 0.02 C Shift Assignments>> C :: 173.276 CA :: 55.429 CB :: 27.765 CG :: 33.367 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 :: 7.453 HA :: 3.640 HB2 :: 1.884 HB3 :: 1.974 HG2 :: 2.098 HG3 :: 2.365 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 :: 113.440 Ave N Shift Values>> N :: 120.67(3.48) 1.I12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.838 CA :: 62.604 CB :: 34.803 CG1 :: 25.819 CG2 :: 12.553(S) CD1 :: 10.092 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 :: 7.499 HA :: 2.869 HB :: 0.975 HG12 :: -0.158(S) HG13 :: 0.655 HG21 :: -0.246(S) HG22 :: -0.246(S) HG23 :: -0.246(S) HD11 :: 0.067 HD12 :: 0.067 HD13 :: 0.067 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 :: 118.236 Ave N Shift Values>> N :: 121.46(4.28) 1.G13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 174.111 CA :: 45.606 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.135(S) HA2 :: 4.366 HA3 :: 4.348 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.389 Ave N Shift Values>> N :: 109.67(3.87) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.44 C Shift Assignments>> CA :: 53.002 CB :: 30.242 CG :: 30.178 CE :: 15.852 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 :: 7.977 HA :: 3.952 HB2 :: 1.647 HB3 :: 2.166 HG2 :: 1.858 HG3 :: 2.537 HE1 :: 1.703 HE2 :: 1.703 HE3 :: 1.703 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 :: 114.865 Ave N Shift Values>> N :: 120.09(3.57) 1.W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.377 CA :: 59.311 CB :: 25.410 CE3 :: 115.069 CZ2 :: 111.157 CZ3 :: 119.615 CH2 :: 120.991 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 :: 7.489 HA :: 3.725 HB2 :: 2.698 HB3 :: 2.950 HE1 :: 10.107 HE3 :: 6.857 HZ2 :: 7.221 HZ3 :: 6.377 HH2 :: 6.834 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 :: 122.784 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.46 Y 0.45 W 0.08 C Shift Assignments>> CE1 :: 116.525 CE2 :: 116.525 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>> HE1 :: 6.655 HE2 :: 6.655 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) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.61 M 0.37 C Shift Assignments>> CA :: 51.092 CB :: 15.083 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.773 HB1 :: 0.696 HB2 :: 0.696 HB3 :: 0.696 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K18 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.14 C Shift Assignments>> C :: 175.108 CA :: 52.995 CB :: 28.686 CG :: 21.532 CD :: 25.826 CE :: 38.913(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 :: 7.246 HA :: 4.002 HB2 :: 1.583 HB3 :: 1.583 HG2 :: 1.261 HG3 :: 1.261 HD2 :: 1.569 HD3 :: 1.569 HE2 :: 2.687 HE3 :: 2.687 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.668 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.11 C Shift Assignments>> C :: 172.881 CA :: 53.325 CB :: 29.238 CG :: 21.511 CD :: 25.398(S) CE :: 39.354 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 :: 3.858 HB2 :: 1.542 HB3 :: 1.542 HG2 :: 1.215 HG3 :: 1.215 HD2 :: 1.483 HD3 :: 1.483 HE2 :: 2.807 HE3 :: 2.807 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 :: 121.064 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 R 0.24 Q 0.1 H 0.07 W 0.05 K 0.04 E 0.02 P 0.01 C Shift Assignments>> C :: 172.759 CA :: 53.213 CB :: 26.879 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 :: 7.699 HA :: 3.935 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 :: 125.683 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.DT1 Overall Status: Residue type DT not supported. 2.DT2 Overall Status: Residue type DT not supported. 2.DG3 Overall Status: Residue type DG not supported. 2.DG4 Overall Status: Residue type DG not supported. 2.DG5 Overall Status: Residue type DG not supported. 2.DT6 Overall Status: Residue type DT not supported. 2.DG7 Overall Status: Residue type DG not supported. 2.DG8 Overall Status: Residue type DG not supported. 2.DG9 Overall Status: Residue type DG not supported. 2.DT10 Overall Status: Residue type DT not supported. 2.DG11 Overall Status: Residue type DG not supported. 2.DG12 Overall Status: Residue type DG not supported. 2.DG13 Overall Status: Residue type DG not supported. 2.DT14 Overall Status: Residue type DT not supported. 2.DG15 Overall Status: Residue type DG not supported. 2.DG16 Overall Status: Residue type DG not supported. 2.DG17 Overall Status: Residue type DG not supported. 2.DT18 Overall Status: Residue type DT not supported. ########################################################################### Overall Results: #Consistent: 12 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 6 #Indeterminable: 0 Typing Results: #Consistent: 12 #Suspicious: 0 #Mistyped: 6 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 20 #Suspicious: 0 C Shift Results: #Consistent: 71 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent: 111 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P4 Typing: Mistyped 1.P4 CD = 45.953(S), Expected = 50.32, Std = 0.9900, ChiSquare = 1.0284e-05 1.P4 HD2 = 1.684(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.9414e-08 1.P4 HD3 = 1.684(S), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8741e-07 1.L7 Typing: Mistyped 1.K8 Typing: Mistyped 1.K8 CE = 38.986(S), Expected = 41.89, Std = 0.8200, ChiSquare = 3.9791e-04 1.R10 Typing: Mistyped 1.R10 HG2 = 0.444(S), Expected = 1.57, Std = 0.2700, ChiSquare = 3.0410e-05 1.I12 CG2 = 12.553(S), Expected = 17.53, Std = 1.3600, ChiSquare = 2.5265e-04 1.I12 HG12 = -0.158(S), Expected = 1.28, Std = 0.4000, ChiSquare = 3.2439e-04 1.I12 HG21 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.I12 HG22 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.I12 HG23 = -0.246(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6791e-04 1.G13 H = 6.135(S), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3302e-04 1.K18 Typing: Mistyped 1.K18 CE = 38.913(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.8289e-04 1.K19 Typing: Mistyped 1.K19 CD = 25.398(S), Expected = 28.96, Std = 1.0800, ChiSquare = 9.7325e-04