Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.K1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 R 0.16 Q 0.16 W 0.14 M 0.11 E 0.1 K 0.05 C Shift Assignments>> CA :: 53.800 CB :: 30.093 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.135 HA :: 4.047 HB2 :: 1.596 HB3 :: 1.544 HG2 :: 1.479 HD2 :: 1.241 HE2 :: 2.784 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.823 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 L 0.06 F 0.04 Y 0.04 C Shift Assignments>> CA :: 50.169 CB :: 39.677 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.436 HA :: 4.382 HB2 :: 1.635 HB3 :: 1.565 HG :: 1.178 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.549 HD22 :: 0.549 HD23 :: 0.549 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.188 Ave N Shift Values>> N :: 121.98(4.07) 1.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.605 HB2 :: 2.361 HB3 :: 1.768 HG2 :: 1.544 HG3 :: 1.395 HD2 :: 3.457 HD3 :: 2.766 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.44 W 0.13 V 0.1 P 0.09 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.02 C Shift Assignments>> CA :: 62.005 CB :: 29.185 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.123 HB2 :: 2.135 HB3 :: 1.942 HG2 :: 1.814 HG3 :: 1.636 HD2 :: 3.701 HD3 :: 3.405 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 R 0.21 K 0.19 F 0.08 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.578 HA2 :: 3.778 HA3 :: 3.004 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.886 Ave N Shift Values>> N :: 109.91(4.29) 1.W6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.2 Q 0.16 R 0.15 W 0.13 E 0.12 K 0.12 M 0.08 L 0.01 C Shift Assignments>> CA :: 54.775 CB :: 29.891 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.175 HA :: 5.027 HB2 :: 3.016 HB3 :: 2.749 HD1 :: 6.728 HE1 :: 10.369 HE3 :: 6.785 HZ2 :: 7.171 HZ3 :: 6.705 HH2 :: 7.222 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 117.296 NE1 :: 129.427 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.27 M 0.22 H 0.13 R 0.1 K 0.09 W 0.07 Q 0.04 E 0.03 C Shift Assignments>> CA :: 52.018 CB :: 31.943 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.610 HA :: 4.620 HB2 :: 2.036 HB3 :: 1.958 HG2 :: 2.310 HG3 :: 2.292 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.870 Ave N Shift Values>> N :: 120.68(3.68) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 M 0.18 R 0.17 W 0.12 Q 0.11 K 0.09 E 0.08 C Shift Assignments>> CA :: 53.565 CB :: 30.934 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.667 HA :: 4.266 HB2 :: 1.498 HB3 :: 1.398 HG2 :: 0.846 HD2 :: 0.905 HE2 :: 2.746 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.642 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R9 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> P 0.55 H 0.1 M 0.1 R 0.07 W 0.05 Q 0.03 K 0.03 E 0.02 C Shift Assignments>> CA :: 51.379 CB :: 31.068 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.602 HA :: 4.110 HB2 :: 0.873 HB3 :: -0.239(A) HG2 :: 0.961 HG3 :: 1.073 HD2 :: 2.679 HD3 :: 2.532 HE :: 6.612 HH21 :: 6.213 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 126.206 NE :: 112.604 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.63 M 0.1 H 0.08 R 0.05 W 0.04 K 0.04 Q 0.02 E 0.01 C Shift Assignments>> CA :: 51.312 CB :: 31.708 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.979 HA :: 4.697 HB2 :: 1.578 HG2 :: 2.224 HG3 :: 1.767 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 117.023 Ave N Shift Values>> N :: 120.1(3.88) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.145 CB :: 60.929 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.988 HA :: 4.775 HB2 :: 4.165 HB3 :: 4.080 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.523 Ave N Shift Values>> N :: 116.3(3.95) 1.R12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 L 0.15 W 0.11 E 0.09 R 0.06 I 0.02 M 0.02 C Shift Assignments>> CA :: 55.751 CB :: 27.975 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.473 HA :: 3.849 HB2 :: 1.749 HG2 :: 1.571 HG3 :: 1.677 HD2 :: 3.087 HD3 :: 2.914 HE :: 7.761 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> NE :: 115.299 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.548 CB :: 61.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.624 HA :: 4.158 HB2 :: 3.743 HB3 :: 3.665 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.028 Ave N Shift Values>> N :: 116.3(3.95) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.850 CB :: 64.522 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.810 HA :: 4.165 HB2 :: 3.738 HB3 :: 3.521 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.803 Ave N Shift Values>> N :: 116.3(3.95) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.24 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.914 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.754 HA2 :: 3.931 HA3 :: 3.644 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.482 Ave N Shift Values>> N :: 109.91(4.29) 1.R16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.23 R 0.15 Q 0.15 W 0.13 M 0.1 K 0.1 E 0.09 L 0.01 C Shift Assignments>> CA :: 53.436 CB :: 30.013 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.477 HA :: 4.196 HB2 :: 1.542 HB3 :: 1.428 HG2 :: 1.777 HD2 :: 2.609 HD3 :: 2.296(S) HE :: 6.573 HH21 :: 5.881 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.530 NE :: 114.165 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.2 E 0.14 I 0.12 R 0.12 V 0.1 H 0.09 Q 0.07 K 0.05 M 0.03 P 0.02 C Shift Assignments>> CA :: 60.052 CB :: 30.371 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.318 HA :: 4.450 HB :: 1.758 HG11 :: 0.817 HG12 :: 0.817 HG13 :: 0.817 HG21 :: 0.577 HG22 :: 0.577 HG23 :: 0.577 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.146 Ave N Shift Values>> N :: 121.02(4.96) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 E 0.1 Y 0.1 M 0.07 F 0.05 K 0.02 C Shift Assignments>> CA :: 52.989 CB :: 36.986 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.472 HA :: 4.705 HB2 :: 2.489 HB3 :: 2.231 HD1 :: 6.092 HD2 :: 6.092 HE1 :: 6.568 HE2 :: 6.568 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.086 Ave N Shift Values>> N :: 120.79(4.69) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.24 F 0.2 L 0.08 E 0.03 I 0.02 M 0.01 C Shift Assignments>> CA :: 54.866 CB :: 38.953 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.786 HA :: 5.098 HB2 :: 2.767 HB3 :: 2.486 HD1 :: 6.545 HD2 :: 6.545 HE1 :: 6.642 HE2 :: 6.642 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.502 Ave N Shift Values>> N :: 120.79(4.69) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.33 L 0.28 F 0.12 R 0.09 Y 0.08 I 0.04 N 0.02 C Shift Assignments>> CB :: 41.863 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.234 HA :: 5.555 HB2 :: 2.889 HB3 :: 2.533 HD1 :: 6.750 HD2 :: 6.750 HE1 :: 6.705 HE2 :: 6.705 HZ :: 7.026 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.444 Ave N Shift Values>> N :: 120.69(4.18) 1.N21 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.75 P 0.12 N 0.08 M 0.02 C Shift Assignments>> CA :: 48.161 CB :: 35.466 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.074 HA :: 4.069 HB2 :: 1.772 HB3 :: -0.948(A) HD21 :: 6.383 HD22 :: 4.050(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.936 ND2 :: 109.682 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) SRO Rule Breaks>> (HD22 > HA : 0.9966) 1.H22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.23 Q 0.13 H 0.09 K 0.09 W 0.06 E 0.04 I 0.02 C Shift Assignments>> CA :: 55.313 CB :: 26.884 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.811 HA :: 3.720 HB2 :: 3.054 HB3 :: 2.795 HD1 :: 6.751 HD2 :: 6.753 HE1 :: 7.812 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.721 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 E 0.13 I 0.1 K 0.09 Q 0.08 M 0.07 Y 0.04 W 0.04 P 0.04 R 0.01 F 0.01 H 0.01 C Shift Assignments>> CA :: 60.767 CB :: 34.572 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.072 HA :: 3.611 HB :: 1.779 HG12 :: 1.024 HG13 :: 0.714 HG21 :: 0.492 HG22 :: 0.492 HG23 :: 0.492 HD11 :: 0.543 HD12 :: 0.543 HD13 :: 0.543 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.846 Ave N Shift Values>> N :: 121.6(4.72) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 S 0.37 C Shift Assignments>> CA :: 58.711 CB :: 67.204 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.134 HA :: 3.833 HB :: 4.005 HG1 :: 4.842 HG21 :: 0.708 HG22 :: 0.708 HG23 :: 0.708 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.089 Ave N Shift Values>> N :: 115.7(5.05) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.35 N 0.29 L 0.07 M 0.05 H 0.05 R 0.03 Q 0.02 K 0.02 W 0.02 Y 0.01 F 0.01 P 0.01 E 0.01 C Shift Assignments>> CA :: 52.542 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.803 HA :: 4.043 HB2 :: 2.902 HB3 :: 2.668 HD21 :: 7.196 HD22 :: 6.546 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.339 ND2 :: 111.862 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> CA :: 49.770 CB :: 18.391 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.980 HA :: 4.267 HB1 :: 1.043 HB2 :: 1.043 HB3 :: 1.043 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.615 Ave N Shift Values>> N :: 123.23(3.7) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 P 0.01 C Shift Assignments>> CA :: 54.062 CB :: 64.611 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.222 HA :: 5.881 HB2 :: 3.743 HB3 :: 3.656 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.928 Ave N Shift Values>> N :: 116.3(3.95) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.23 Q 0.13 K 0.11 W 0.11 R 0.11 P 0.1 M 0.07 E 0.05 L 0.04 C Shift Assignments>> CA :: 51.916 CB :: 29.298 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.356 HA :: 4.653 HB2 :: 2.033 HB3 :: 1.703 HG2 :: 2.503 HG3 :: 2.280 HE21 :: 7.328 HE22 :: 6.553 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.956 NE2 :: 113.484 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.16 Q 0.16 R 0.15 H 0.12 W 0.12 E 0.11 L 0.07 I 0.05 M 0.01 C Shift Assignments>> CA :: 57.191 CB :: 28.225 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.734 HA :: 4.731 HB2 :: 3.287 HB3 :: 2.914 HD1 :: 7.174 HE1 :: 9.491 HE3 :: 7.986 HZ2 :: 6.998 HZ3 :: 6.648 HH2 :: 6.756 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.366 NE1 :: 128.751 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.21 Q 0.13 H 0.11 K 0.09 W 0.06 E 0.03 I 0.01 C Shift Assignments>> CA :: 54.330 CB :: 27.063 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.152 HA :: 4.127 HB2 :: 1.677 HG2 :: 2.122 HG3 :: 2.027 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.023 Ave N Shift Values>> N :: 120.68(3.68) 1.R31 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.61 L 0.19 H 0.06 Q 0.04 K 0.03 W 0.02 R 0.01 C Shift Assignments>> CA :: 51.469 CB :: 27.063 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.341 HA :: 2.484(S) HB2 :: 1.153 HG2 :: 0.972 HG3 :: 0.687(S) HD2 :: 2.785 HE :: 7.044 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.486 NE :: 115.597 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.P32 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> I 0.16 W 0.15 K 0.14 R 0.13 E 0.12 Q 0.12 H 0.09 L 0.03 M 0.01 V 0.01 C Shift Assignments>> CA :: 59.158 CB :: 28.404 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.630 HB2 :: 0.569(S) HB3 :: 0.374(S) HG2 :: 0.359(S) HG3 :: -0.281(S) HD2 :: 2.248(S) HD3 :: 2.044(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.045 CB :: 62.197 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.993 HA :: 4.091 HB2 :: 3.589 HB3 :: 3.484 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.267 Ave N Shift Values>> N :: 116.3(3.95) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 R 0.3 K 0.14 F 0.07 Y 0.04 G 0.02 I 0.02 C Shift Assignments>> CA :: 42.708 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.350 HA2 :: 3.750 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.372 Ave N Shift Values>> N :: 109.91(4.29) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 M 0.09 P 0.06 Y 0.04 E 0.04 K 0.02 F 0.01 C Shift Assignments>> CA :: 50.665 CB :: 36.271 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.235 HA :: 4.579 HB2 :: 2.644 HB3 :: 2.499 HD21 :: 7.454 HD22 :: 6.745 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.463 ND2 :: 112.900 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.459 CB :: 61.840 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.771 HA :: 4.067 HB2 :: 3.623 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 116.3(3.95) 2.I1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.079 HA :: 4.244 HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 2.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 3.787 HB2 :: 1.694 HB3 :: 1.601 HG2 :: 1.593 HG3 :: 1.435 HD2 :: 3.173 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 2.E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.122 HA :: 4.144 HB2 :: 1.848 HB3 :: 1.738 HG2 :: 2.054 HG3 :: 1.992 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 2.TPO4 Overall Status: Residue type TPO not supported. 2.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.482 HB2 :: 1.793 HB3 :: 1.687 HG2 :: 1.802 HG3 :: 1.693 HD2 :: 3.494 HD3 :: 3.258 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 2.P6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.214 HB2 :: 2.040 HG2 :: 1.792 HG3 :: 1.599 HD2 :: 3.697 HD3 :: 3.399 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 2.P7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA3 :: 3.647 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) ########################################################################### Overall Results: #Consistent: 38 #Clerical: 0 #Suspicious: 3 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 34 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 41 #Suspicious: 2 C Shift Results: #Consistent: 65 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 256 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 2 N Shift Results: #Consistent: 42 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R9 HB3 = -0.239(A), Expected = 1.78, Std = 0.2800, ChiSquare = 5.5659e-13 1.R16 HD3 = 2.296(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.5010e-04 1.N21 HB3 = -0.948(A), Expected = 2.78, Std = 0.3400, ChiSquare = 5.6484e-28 1.N21 HD22 = 4.050(S), Expected = 7.20, Std = 0.5200, ChiSquare = 1.3809e-09 1.N21 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.R31 HA = 2.484(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9264e-05 1.R31 HG3 = 0.687(S), Expected = 1.58, Std = 0.2700, ChiSquare = 9.4164e-04 1.R31 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.P32 Typing: Suspicious 1.P32 HB2 = 0.569(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.4620e-04 1.P32 HB3 = 0.374(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.7279e-05 1.P32 HG2 = 0.359(S), Expected = 1.93, Std = 0.3600, ChiSquare = 1.2777e-05 1.P32 HG3 = -0.281(S), Expected = 1.92, Std = 0.3700, ChiSquare = 2.7037e-09 1.P32 HD2 = 2.248(S), Expected = 3.64, Std = 0.3600, ChiSquare = 1.1033e-04 1.P32 HD3 = 2.044(S), Expected = 3.63, Std = 0.4000, ChiSquare = 7.3396e-05