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 :: 6.80 HA2 :: 3.88 HA3 :: 3.65 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.70 Ave N Shift Values>> N :: 109.67(3.87) 1.W2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.90 HA :: 4.35 HB2 :: 3.39 HB3 :: 3.39 HD1 :: 7.52 HE1 :: 10.09 HZ2 :: 7.63 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 :: 119.80 NE1 :: 128.70 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 6.79 HA :: 4.20 HB2 :: 2.97 HB3 :: 2.97 HD1 :: 6.99 HE1 :: 10.06 HE3 :: 7.25 HZ2 :: 7.56 HZ3 :: 7.08 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 :: 117.50 NE1 :: 128.80 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.35 HA :: 4.08 HB2 :: 1.60 HB3 :: 1.60 HG :: 1.43 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 HD21 :: 0.98 HD22 :: 0.98 HD23 :: 0.98 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 :: 120.30 Ave N Shift Values>> N :: 121.86(3.9) 1.A5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.82 HA :: 4.26 HB1 :: 1.71 HB2 :: 1.71 HB3 :: 1.71 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.40 Ave N Shift Values>> N :: 123.23(3.54) 1.L6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.78 HA :: 4.41 HB2 :: 2.14 HB3 :: 2.03 HG :: 1.86 HD11 :: 1.17 HD12 :: 1.17 HD13 :: 1.17 HD21 :: 1.17 HD22 :: 1.17 HD23 :: 1.17 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 :: 114.10 Ave N Shift Values>> N :: 121.86(3.9) 1.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.09 HA :: 4.40 HB1 :: 1.71 HB2 :: 1.71 HB3 :: 1.71 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.70 Ave N Shift Values>> N :: 123.23(3.54) 1.P8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.14 HB2 :: 2.38 HB3 :: 1.97 HG2 :: 2.27 HG3 :: 2.27 HD2 :: 3.74 HD3 :: 3.74 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.A9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.25 HA :: 4.18 HB1 :: 1.64 HB2 :: 1.64 HB3 :: 1.64 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.30 Ave N Shift Values>> N :: 123.23(3.54) 1.L10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.19 HA :: 4.20 HB2 :: 1.94 HB3 :: 1.94 HG :: 1.79 HD11 :: 1.02 HD12 :: 1.02 HD13 :: 1.02 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 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 :: 117.00 Ave N Shift Values>> N :: 121.86(3.9) 1.A11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.23 HA :: 4.12 HB1 :: 1.57 HB2 :: 1.57 HB3 :: 1.57 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.60 Ave N Shift Values>> N :: 123.23(3.54) 1.L12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.10 HA :: 4.21 HB2 :: 1.93 HB3 :: 1.93 HD11 :: 1.06 HD12 :: 1.06 HD13 :: 1.06 HD21 :: 1.06 HD22 :: 1.06 HD23 :: 1.06 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 :: 116.80 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.32 HA :: 4.19 HB1 :: 1.68 HB2 :: 1.68 HB3 :: 1.68 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.60 Ave N Shift Values>> N :: 123.23(3.54) 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.48 HA :: 4.37 HB2 :: 1.98 HB3 :: 2.08 HD11 :: 1.03 HD12 :: 1.03 HD13 :: 1.03 HD21 :: 1.03 HD22 :: 1.03 HD23 :: 1.03 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 :: 117.10 Ave N Shift Values>> N :: 121.86(3.9) 1.A15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.56 HA :: 4.36 HB1 :: 1.76 HB2 :: 1.76 HB3 :: 1.76 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.90 Ave N Shift Values>> N :: 123.23(3.54) 1.L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.71 HA :: 4.26 HB2 :: 2.09 HB3 :: 2.19 HD11 :: 1.05 HD12 :: 1.05 HD13 :: 1.05 HD21 :: 1.05 HD22 :: 1.05 HD23 :: 1.05 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 :: 117.80 Ave N Shift Values>> N :: 121.86(3.9) 1.W17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.80 HA :: 4.47 HB2 :: 3.85 HB3 :: 3.50 HD1 :: 7.23 HE1 :: 9.88 HE3 :: 7.85 HZ2 :: 7.66 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 :: 121.30 NE1 :: 128.20 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.W18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 9.14 HA :: 4.05 HB2 :: 3.59 HB3 :: 3.59 HD1 :: 7.23 HE1 :: 9.77 HE3 :: 7.68 HZ2 :: 7.61 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 :: 120.70 NE1 :: 127.50 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.65 HA :: 4.06 HB1 :: 1.65 HB2 :: 1.65 HB3 :: 1.65 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.ACE1 Overall Status: Residue type ACE not supported. 3.ETA1 Overall Status: Residue type ETA not supported. ########################################################################### Overall Results: #Consistent: 19 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 0 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 19 Shift Relative Order (SRO) Results: #Consistent: 19 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 140 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 21 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0