Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.33 N 0.26 D 0.13 L 0.07 M 0.05 C 0.03 Q 0.03 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.89 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 3.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.N2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.19 N 0.17 A 0.14 L 0.12 M 0.09 Q 0.06 C 0.05 K 0.05 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.23(D) 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 :: 7.780(D) HA :: 4.195(D) 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 :: 114.16(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.2 V 0.2 C 0.19 F 0.13 Y 0.12 E 0.04 K 0.03 Q 0.02 M 0.01 C Shift Assignments>> CA :: 60.59(D) 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 :: 8.584(D) HA :: 2.942(D) 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 :: 121.10(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.22(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.609(D) HA2 :: 3.318(D) HA3 :: 4.130(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.49(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 K 0.14 Q 0.11 C 0.11 F 0.11 Y 0.11 M 0.09 L 0.07 D 0.03 V 0.01 C Shift Assignments>> CA :: 57.24(D) 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 :: 7.603(D) HA :: 4.180(D) 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 :: 121.42(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 T 0.4 C 0.07 F 0.02 Y 0.02 C Shift Assignments>> CA :: 63.32(D) 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 :: 8.476(D) HA :: 4.672(D) 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 :: 121.55(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 Y 0.17 F 0.17 E 0.09 K 0.07 V 0.07 T 0.06 Q 0.05 M 0.04 L 0.02 C Shift Assignments>> CA :: 59.28(D) 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>> H :: 8.765(D) HA :: 4.726(D) 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) N Shift Assignments>> N :: 125.77(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.16 L 0.13 Q 0.13 K 0.11 E 0.08 D 0.08 C 0.08 F 0.07 Y 0.06 N 0.03 A 0.02 C Shift Assignments>> CA :: 56.05 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 :: 8.795 HA :: 5.309 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 :: 121.40 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.16 F 0.16 T 0.11 V 0.11 E 0.07 K 0.06 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.80 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.226 HA :: 4.785 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 :: 129.40 Ave N Shift Values>> N :: 120.17(4.64) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 T 0.17 V 0.16 F 0.14 Y 0.14 E 0.05 K 0.04 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 60.32 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 :: 9.425 HA :: 4.062 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 :: 129.07 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>> T 0.2 V 0.19 C 0.19 F 0.13 Y 0.13 E 0.04 K 0.03 Q 0.02 M 0.01 C Shift Assignments>> CA :: 60.57 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 :: 8.978 HA :: 4.365 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 :: 122.82 Ave N Shift Values>> N :: 121.86(3.9) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.31 V 0.29 C 0.15 F 0.08 Y 0.08 E 0.02 K 0.01 Q 0.01 C Shift Assignments>> CA :: 61.38 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.164 HA :: 4.852 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 :: 120.29 Ave N Shift Values>> N :: 120.17(4.64) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 A 0.14 C 0.13 N 0.05 L 0.03 D 0.01 C Shift Assignments>> CA :: 48.06 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.596 HA2 :: 4.101 HA3 :: 3.558 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.14 Ave N Shift Values>> N :: 109.67(3.87) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 T 0.19 V 0.18 F 0.13 Y 0.13 E 0.05 K 0.04 Q 0.02 M 0.01 HN Overlap>> 1.V15 1.V15 C Shift Assignments>> CA :: 60.48 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 :: 8.458 HA :: 3.867 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 :: 123.54 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 T 0.4 C 0.08 F 0.02 Y 0.02 HN Overlap>> 1.Q14 1.Q14 C Shift Assignments>> CA :: 63.15 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 :: 8.377 HA :: 4.973 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 :: 123.56 Ave N Shift Values>> N :: 121.14(4.54) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Y 0.16 F 0.16 T 0.11 V 0.11 E 0.07 K 0.06 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.79 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 :: 9.201(D) HA :: 5.240 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 :: 118.18(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.17 M 0.14 D 0.13 Q 0.1 K 0.09 C 0.07 E 0.06 N 0.05 F 0.05 Y 0.05 A 0.04 C Shift Assignments>> CA :: 55.43(D) 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 :: 8.781(D) HA :: 5.072(D) 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 :: 120.75(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 T 0.38 C 0.05 C Shift Assignments>> CA :: 65.63(D) 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 :: 8.589(D) HA :: 3.261(D) 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 :: 125.71(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.15 Y 0.15 C 0.14 E 0.13 K 0.11 Q 0.09 M 0.07 L 0.05 D 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.79(D) 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 :: 8.855(D) HA :: 4.141(D) 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 :: 130.71(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.15 E 0.13 Q 0.13 M 0.1 C 0.1 F 0.1 Y 0.09 L 0.08 D 0.04 N 0.01 C Shift Assignments>> CA :: 56.96(D) 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 :: 7.053(D) HA :: 4.335(D) 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 :: 116.00(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 Y 0.17 F 0.17 E 0.11 K 0.09 Q 0.07 M 0.05 V 0.03 T 0.03 L 0.03 D 0.01 C Shift Assignments>> CA :: 58.65 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 :: 8.289(D) HA :: 4.061 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 :: 123.07(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 C Shift Assignments>> CA :: 47.44 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.184 HA2 :: 3.896 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.53 Ave N Shift Values>> N :: 109.67(3.87) 1.G23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.905 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.84 Ave N Shift Values>> N :: 109.67(3.87) 1.G24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 N 0.22 D 0.07 C 0.06 G 0.06 L 0.02 M 0.02 C Shift Assignments>> CA :: 49.11 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.520 HA2 :: 4.759 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.58 Ave N Shift Values>> N :: 109.67(3.87) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 T 0.4 C 0.06 F 0.01 Y 0.01 C Shift Assignments>> CA :: 64.36 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 :: 8.847 HA :: 4.051 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 :: 120.05 Ave N Shift Values>> N :: 115.42(4.75) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 K 0.13 F 0.12 C 0.12 Y 0.12 Q 0.11 M 0.09 L 0.06 D 0.03 V 0.01 C Shift Assignments>> CA :: 57.36 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 :: 8.975(D) HA :: 4.438 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 :: 127.40(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.49 T 0.4 C 0.06 F 0.01 Y 0.01 C Shift Assignments>> CA :: 64.27 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>> HA :: 4.940 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.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 T 0.4 C 0.08 F 0.02 Y 0.02 C Shift Assignments>> CA :: 63.15 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.623 HA :: 4.489 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 :: 127.36 Ave N Shift Values>> N :: 120.17(4.64) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 T 0.37 C 0.05 C Shift Assignments>> CA :: 65.79 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.291 HA :: 3.975 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 :: 123.99 Ave N Shift Values>> N :: 120.17(4.64) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.59 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.378 HA2 :: 3.865 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.72 Ave N Shift Values>> N :: 109.67(3.87) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 M 0.13 K 0.13 L 0.1 E 0.1 C 0.09 F 0.08 Y 0.08 D 0.06 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.47 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 :: 8.266 HA :: 4.993 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 :: 121.53 Ave N Shift Values>> N :: 120.67(3.48) 1.D32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.17 F 0.17 C 0.17 E 0.12 K 0.1 Q 0.08 M 0.06 L 0.04 V 0.02 T 0.02 D 0.01 C Shift Assignments>> CA :: 58.16 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 :: 9.161(D) HA :: 5.071 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 :: 127.25(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.17 F 0.16 V 0.09 T 0.08 E 0.08 K 0.07 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.54 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 :: 8.765 HA :: 4.579 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 :: 122.28 Ave N Shift Values>> N :: 120.09(3.57) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.51 T 0.39 C 0.06 F 0.01 C Shift Assignments>> CA :: 64.77(D) 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 :: 9.305 HA :: 4.196(D) 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 :: 123.10 Ave N Shift Values>> N :: 121.14(4.54) 1.K35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> C 0.21 Y 0.16 F 0.16 T 0.1 V 0.1 E 0.07 K 0.06 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.71(D) 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 :: 8.814(D) HA :: 3.152(D) 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 :: 134.17(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> F 0.16 Y 0.15 C 0.15 E 0.13 K 0.11 Q 0.09 M 0.07 L 0.04 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.90(D) 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 :: 8.591(D) HA :: 3.873(D) 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 :: 132.04(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.ZN1 Overall Status: Residue type ZN not supported. 3.FE21 Overall Status: Residue type FE2 not supported. ########################################################################### Overall Results: #Consistent: 19 #Clerical: 15 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 35 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 36 #Suspicious: 0 C Shift Results: #Consistent: 22 #Duplicate: 13 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 41 #Duplicate: 30 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 18 #Duplicate: 14 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.N2 CA = 54.23(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1360e-01 1.N2 H = 7.780(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.7406e-01 1.N2 HA = 4.195(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.8702e-01 1.N2 N = 114.16(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.3656e-01 1.E3 CA = 60.59(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1768e-01 1.E3 H = 8.584(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6683e-01 1.E3 HA = 2.942(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.4215e-03 1.E3 N = 121.10(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0166e-01 1.G4 CA = 47.22(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.6286e-01 1.G4 H = 8.609(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6776e-01 1.G4 HA2 = 3.318(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8042e-02 1.G4 HA3 = 4.130(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3419e-01 1.G4 N = 114.49(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1296e-01 1.D5 CA = 57.24(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0906e-01 1.D5 H = 7.603(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2286e-01 1.D5 HA = 4.180(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.0011e-01 1.D5 N = 121.42(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4189e-01 1.V6 CA = 63.32(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7166e-01 1.V6 H = 8.476(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.8131e-01 1.V6 HA = 4.672(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.0595e-01 1.V6 N = 121.55(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2804e-01 1.Y7 CA = 59.28(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.4683e-01 1.Y7 H = 8.765(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.4213e-01 1.Y7 HA = 4.726(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.6389e-01 1.Y7 N = 125.77(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.1130e-01 1.V16 H = 9.201(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7392e-01 1.V16 N = 118.18(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1441e-01 1.K17 CA = 55.43(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8962e-01 1.K17 H = 8.781(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2462e-01 1.K17 HA = 5.072(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8345e-02 1.K17 N = 120.75(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3658e-01 1.V18 CA = 65.63(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.7225e-01 1.V18 H = 8.589(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5540e-01 1.V18 HA = 3.261(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.0922e-01 1.V18 N = 125.71(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1412e-01 1.L19 CA = 57.79(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0831e-01 1.L19 H = 8.855(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3628e-01 1.L19 HA = 4.141(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0331e-01 1.L19 N = 130.71(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.3254e-02 1.E20 CA = 56.96(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6324e-01 1.E20 H = 7.053(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.0433e-02 1.E20 HA = 4.335(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3576e-01 1.E20 N = 116.00(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7961e-01 1.E21 H = 8.289(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4460e-01 1.E21 N = 123.07(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9041e-01 1.L26 H = 8.975(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5173e-01 1.L26 N = 127.40(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5546e-01 1.D32 H = 9.161(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.4231e-01 1.D32 N = 127.25(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7295e-02 1.V34 CA = 64.77(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2533e-01 1.V34 HA = 4.196(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.9175e-01 1.K35 CA = 59.71(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0964e-01 1.K35 H = 8.814(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9834e-01 1.K35 HA = 3.152(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1056e-02 1.K35 N = 134.17(S), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0122e-04 1.Q36 CA = 57.90(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.3427e-01 1.Q36 H = 8.591(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.2947e-01 1.Q36 HA = 3.873(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6691e-01 1.Q36 N = 132.04(S), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3816e-04