Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.22 C 0.07 L 0.05 Y 0.04 C Shift Assignments>> CA :: 51.840 CB :: 39.279 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 :: 8.364 HA :: 4.847 HB2 :: 2.837 HB3 :: 2.901 HD21 :: 7.945 HD22 :: 7.212 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 :: 122.514 ND2 :: 113.992 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> CA :: 65.512 CB :: 32.294 CD :: 51.210 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 :: 4.329 HB2 :: 2.009 HB3 :: 2.403 HG2 :: 2.080 HG3 :: 2.154 HD2 :: 3.842 HD3 :: 4.135 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.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.939 HA :: 4.160 HB2 :: 2.081 HB3 :: 2.145 HG2 :: 2.428 HG3 :: 2.438 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 :: 117.522 Ave N Shift Values>> N :: 120.67(3.48) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> CB :: 41.165 CD1 :: 24.688 CD2 :: 23.739 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 :: 7.753 HA :: 4.139 HB2 :: 1.646 HB3 :: 1.790 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.869 HD22 :: 0.869 HD23 :: 0.869 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 :: 121.171 Ave N Shift Values>> N :: 121.86(3.9) 1.Q5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.2 Q 0.2 E 0.08 R 0.04 Y 0.02 C Shift Assignments>> CA :: 59.256 CG :: 34.188 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 :: 8.500 HA :: 4.011 HB2 :: 2.041 HB3 :: 2.128 HG2 :: 2.343 HG3 :: 2.489 HE21 :: 7.574 HE22 :: 6.819 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 :: 119.095 NE2 :: 111.480 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 C 0.14 L 0.13 Y 0.12 G 0.09 K 0.09 D 0.01 C Shift Assignments>> CA :: 59.485 CD :: 43.283 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 :: 7.853 HA :: 4.059 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.606 HG3 :: 1.784 HD2 :: 3.219 HD3 :: 3.219 HE :: 7.327 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) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.39 R 0.11 Q 0.02 HN Overlap>> 1.L11 1.L11 C Shift Assignments>> CA :: 58.747 CB :: 32.173 CG :: 25.212 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 :: 7.738 HA :: 4.081 HB2 :: 1.902 HB3 :: 1.904 HG2 :: 1.457 HG3 :: 1.457 HE2 :: 2.961 HE3 :: 2.961 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 :: 119.007 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 Y 0.11 K 0.07 Q 0.04 N 0.02 C Shift Assignments>> CA :: 56.920 CB :: 36.067 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.445 HA :: 4.437 HB2 :: 3.168 HB3 :: 3.301 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 :: 118.244 Ave N Shift Values>> N :: 120.17(4.64) 1.K9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Indeterminable PRTL>> K 0.43 L 0.4 C 0.09 R 0.03 P 0.02 C Shift Assignments>> CG :: 24.995 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 :: 7.979 HA :: 4.161 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 1.517 HG3 :: 1.517 HD2 :: 1.703 HD3 :: 1.703 HE2 :: 2.990 HE3 :: 2.990 HZ1 :: 7.554(U) HZ2 :: 7.554(U) HZ3 :: 7.554(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) 1.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.603 HA :: 4.155 HB2 :: 2.172 HB3 :: 2.172 HG2 :: 2.489 HG3 :: 2.591 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 :: 116.303 Ave N Shift Values>> N :: 120.67(3.48) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 G 0.08 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> CB :: 43.030 CD1 :: 25.336 CD2 :: 23.549 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 :: 7.695 HA :: 4.150 HB2 :: 1.552 HB3 :: 1.818 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 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 :: 119.093 Ave N Shift Values>> N :: 121.86(3.9) 1.DAS12 Overall Status: Residue type DAS not supported. 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.037 CB :: 69.447 CG2 :: 21.193 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 :: 8.842 HA :: 4.451 HB :: 4.589 HG21 :: 1.168 HG22 :: 1.168 HG23 :: 1.168 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 :: 116.759 Ave N Shift Values>> N :: 115.42(4.75) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.37 G 0.1 L 0.02 K 0.02 C Shift Assignments>> CA :: 56.168 CB :: 29.341 CG :: 27.706 CD :: 43.613 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 :: 8.011 HA :: 4.513 HB2 :: 1.917 HB3 :: 2.000 HG2 :: 1.799 HG3 :: 1.799 HD2 :: 3.276 HD3 :: 3.334 HE :: 7.260 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 :: 124.904 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.DPR15 Overall Status: Residue type DPR not supported. 1.DGL16 Overall Status: Residue type DGL not supported. 1.DAL17 Overall Status: Residue type DAL not supported. 1.DGL18 Overall Status: Residue type DGL not supported. 1.DAR19 Overall Status: Residue type DAR not supported. 1.DLY20 Overall Status: Residue type DLY not supported. 1.DCY21 Overall Status: Residue type DCY not supported. 1.DAR22 Overall Status: Residue type DAR not supported. 1.DGL23 Overall Status: Residue type DGL not supported. 1.DGL24 Overall Status: Residue type DGL not supported. 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.39 P 0.32 T 0.22 C 0.04 Y 0.01 C Shift Assignments>> CB :: 63.723 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.262 HA :: 4.200 HB2 :: 3.676 HB3 :: 4.132 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 :: 111.259 Ave N Shift Values>> N :: 116.28(3.52) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.28 D 0.18 Y 0.08 R 0.04 C 0.04 N 0.02 C Shift Assignments>> CB :: 41.871 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 :: 8.567 HA :: 4.768 HB2 :: 2.925 HB3 :: 2.925 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 :: 123.307 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 14 #Clerical: 1 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 13 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 15 #Suspicious: 0 C Shift Results: #Consistent: 30 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 3 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 14 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K9 HZ1 = 7.554(U) 1.K9 HZ2 = 7.554(U) 1.K9 HZ3 = 7.554(U)