Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.BMT1 Overall Status: Residue type BMT not supported. 1.T2 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.99 C Shift Assignments>> C :: 173.5 CA :: 51.4(A) CB :: 67.3 CG2 :: 18.7 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 :: 8.132 HA :: 4.942 HB :: 4.074 HG1 :: 3.815 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 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) 1.SAR3 Overall Status: Residue type SAR not supported. 1.MLE4 Overall Status: Residue type MLE not supported. 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.98 V 0.01 C Shift Assignments>> C :: 173.2 CA :: 54.7 CB :: 32.0 CG1 :: 19.3 CG2 :: 18.5 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 :: 7.163 HA :: 4.777 HB :: 2.169 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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) 1.MLE6 Overall Status: Residue type MLE not supported. 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 171.3 CA :: 48.8 CB :: 15.9 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.686 HA :: 4.449 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.DAL8 Overall Status: Residue type DAL not supported. 1.MLE9 Overall Status: Residue type MLE not supported. 1.MLE10 Overall Status: Residue type MLE not supported. 1.MVA11 Overall Status: Residue type MVA not supported. ########################################################################### Overall Results: #Consistent: 2 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 2 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 3 #Suspicious: 0 C Shift Results: #Consistent: 11 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 21 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T2 Typing: Mistyped 1.T2 CA = 51.4(A), Expected = 62.22, Std = 2.5900, ChiSquare = 2.9459e-05