Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.ACE1 Overall Status: Residue type ACE not supported. 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.8270 CB :: 61.5870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2670 HA :: 4.3400 HB2 :: 3.7680 HB3 :: 3.8020 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 :: 121.4630 Ave N Shift Values>> N :: 116.28(3.52) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 C 0.13 D 0.07 L 0.01 E 0.01 C Shift Assignments>> CA :: 51.4430 CB :: 37.8260 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 :: 8.4030 HA :: 4.5470 HB2 :: 2.6470 HB3 :: 2.5940 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 :: 121.9190 Ave N Shift Values>> N :: 120.65(3.86) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> CA :: 49.8300 CB :: 19.2170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0370 HA :: 4.2080 HB1 :: 1.1790 HB2 :: 1.1790 HB3 :: 1.1790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0210 Ave N Shift Values>> N :: 123.23(3.54) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.02 C Shift Assignments>> CA :: 53.6610 CB :: 18.8510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1540 HA :: 4.2730 HB1 :: 1.1370 HB2 :: 1.1370 HB3 :: 1.1370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3300 Ave N Shift Values>> N :: 123.23(3.54) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.06 I 0.02 C Shift Assignments>> CA :: 61.0660 CB :: 29.5550 CG1 :: 18.9150 CG2 :: 18.6170 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 :: 7.8790 HA :: 3.8600 HB :: 2.0850 HG11 :: 0.9410 HG12 :: 0.9410 HG13 :: 0.9410 HG21 :: 0.8770 HG22 :: 0.8770 HG23 :: 0.8770 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 :: 121.7140 Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.23 E 0.04 D 0.02 C Shift Assignments>> CA :: 51.4450 CB :: 36.7000 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 :: 8.1190 HA :: 4.5700 HB2 :: 2.8330 HB3 :: 2.7370 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 :: 119.3260 Ave N Shift Values>> N :: 120.65(3.86) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 I 0.2 S 0.17 T 0.14 V 0.14 E 0.06 K 0.05 L 0.01 C Shift Assignments>> CA :: 60.1040 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 :: 8.1050 HA :: 4.1940 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 :: 114.7100 Ave N Shift Values>> N :: 115.42(4.75) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.8840 CB :: 61.1590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2140 HA :: 4.4140 HB2 :: 3.8550 HB3 :: 3.8550 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 :: 117.4160 Ave N Shift Values>> N :: 116.28(3.52) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.8430 CB :: 61.1590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3360 HA :: 4.3750 HB2 :: 3.8450 HB3 :: 3.8450 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 :: 118.0980 Ave N Shift Values>> N :: 116.28(3.52) 1.E11 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.35 C Shift Assignments>> CA :: 53.6610 CB :: 26.4550 CG :: 31.6770(S) 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 :: 8.2080 HA :: 4.3040 HB2 :: 2.0390 HB3 :: 1.9270 HG2 :: 2.3060 HG3 :: 2.3060 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 :: 122.2080 Ave N Shift Values>> N :: 120.67(3.48) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.13 I 0.01 C Shift Assignments>> CA :: 54.4630 CB :: 35.8830 CG1 :: 24.9710 CG2 :: 14.9750 CD1 :: 14.9830 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0880 HA :: 4.1350 HB :: 1.8270 HG12 :: 1.4730 HG13 :: 1.4730 HG21 :: 0.8530 HG22 :: 0.8530 HG23 :: 0.8530 HD11 :: 0.8090 HD12 :: 0.8090 HD13 :: 0.8090 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.5830 Ave N Shift Values>> N :: 121.46(4.28) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.62 T 0.37 C Shift Assignments>> CA :: 58.8140 CB :: 66.7610 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 :: 8.0560 HA :: 4.4800 HB :: 4.2830 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 :: 116.2470 Ave N Shift Values>> N :: 115.42(4.75) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.24 C 0.23 I 0.12 E 0.1 K 0.08 V 0.08 T 0.08 L 0.02 C Shift Assignments>> CA :: 59.3060 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 :: 8.1600 HA :: 4.2500 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 :: 115.1830 Ave N Shift Values>> N :: 115.42(4.75) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 L 0.04 C Shift Assignments>> CA :: 54.1010 CB :: 29.9270 CD :: 26.2460 CE :: 39.4420 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 :: 8.1600 HA :: 4.1730 HB2 :: 1.7470 HB3 :: 1.7470 HD2 :: 1.6120 HD3 :: 1.6120 HE2 :: 2.9200 HE3 :: 2.9200 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 :: 120.2210 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.76 C 0.12 D 0.07 L 0.01 C Shift Assignments>> CA :: 51.1890 CB :: 37.9200 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 :: 8.3780 HA :: 4.6570 HB2 :: 2.7360 HB3 :: 2.6190 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 :: 123.7530 Ave N Shift Values>> N :: 120.65(3.86) 1.L17 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 A 0.16 V 0.03 C Shift Assignments>> CA :: 54.5350 CB :: 30.2720(S) CD1 :: 22.6920 CD2 :: 22.6920 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 :: 7.9530 HA :: 4.0310 HB2 :: 2.0040 HB3 :: 2.0040 HD11 :: 0.8570 HD12 :: 0.8570 HD13 :: 0.8570 HD21 :: 0.8570 HD22 :: 0.8570 HD23 :: 0.8570 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 :: 118.7690 Ave N Shift Values>> N :: 121.86(3.9) 1.K18 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.09 L 0.04 C Shift Assignments>> CA :: 56.0120 CB :: 29.6380 CG :: 22.1760 CD :: 26.6280 CE :: 39.4420 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 :: 8.0570 HA :: 3.9570 HB2 :: 1.7960 HB3 :: 1.7960 HG2 :: 1.3570 HG3 :: 1.4620 HD2 :: 1.6450 HD3 :: 1.6450 HE2 :: 2.9420 HE3 :: 2.9420 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 :: 121.0960 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E19 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.37 C Shift Assignments>> CA :: 54.2930 CB :: 26.4550 CG :: 31.6770(S) 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 :: 7.8040 HA :: 4.1370 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 2.3260 HG3 :: 2.3260 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 :: 118.5710 Ave N Shift Values>> N :: 120.67(3.48) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 L 0.04 C Shift Assignments>> CA :: 54.9340 CB :: 29.7100 CD :: 26.6280 CE :: 39.4420 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 :: 7.9400 HA :: 4.0970 HB2 :: 1.8250 HB3 :: 1.8250 HD2 :: 1.6120 HD3 :: 1.6120 HE2 :: 2.9310 HE3 :: 2.9310 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 :: 120.0470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K21 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 A 0.39 L 0.08 C Shift Assignments>> CA :: 54.5800 CB :: 28.9280 CG :: 21.3660 CD :: 26.6280 CE :: 39.5050 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 :: 7.9690 HA :: 4.0080 HB2 :: 1.7130 HB3 :: 1.7130 HG2 :: 1.3720 HG3 :: 1.3720 HD2 :: 1.6300 HD3 :: 1.6300 HE2 :: 2.9130 HE3 :: 2.9130 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 :: 119.3610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E22 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.37 C Shift Assignments>> CA :: 54.5800 CB :: 26.4550 CG :: 31.6770(S) 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 :: 8.1800 HA :: 4.1410 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 2.4120 HG3 :: 2.3960 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 :: 121.2060 Ave N Shift Values>> N :: 120.67(3.48) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.07 I 0.02 C Shift Assignments>> CA :: 61.4230 CB :: 29.5470 CG1 :: 18.9150 CG2 :: 18.6170 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 :: 7.8810 HA :: 3.8590 HB :: 2.0840 HG11 :: 0.9410 HG12 :: 0.9410 HG13 :: 0.9410 HG21 :: 0.8770 HG22 :: 0.8770 HG23 :: 0.8770 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 :: 119.2600 Ave N Shift Values>> N :: 121.14(4.54) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.07 I 0.02 C Shift Assignments>> CA :: 61.4230 CB :: 29.5470 CG1 :: 18.9150 CG2 :: 18.6170 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 :: 7.8810 HA :: 3.8590 HB :: 2.0840 HG11 :: 0.9410 HG12 :: 0.9410 HG13 :: 0.9410 HG21 :: 0.8770 HG22 :: 0.8770 HG23 :: 0.8770 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 :: 120.3820 Ave N Shift Values>> N :: 121.14(4.54) 1.E25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.34 C Shift Assignments>> CA :: 53.4530 CB :: 26.4550 CG :: 31.6770(S) 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 :: 8.0290 HA :: 4.2100 HB2 :: 2.0340 HB3 :: 2.0340 HG2 :: 2.4120 HG3 :: 2.3960 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 :: 118.2080 Ave N Shift Values>> N :: 120.67(3.48) 1.E26 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.34 C Shift Assignments>> CA :: 53.4070 CB :: 26.4550 CG :: 31.6770(S) 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 :: 8.0290 HA :: 4.2740 HB2 :: 2.0850 HB3 :: 1.9100 HG2 :: 2.3660 HG3 :: 2.3660 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 :: 121.9790 Ave N Shift Values>> N :: 120.67(3.48) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.98 C 0.01 C Shift Assignments>> CA :: 49.8750 CB :: 16.4910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9980 HA :: 4.2400 HB1 :: 1.3070 HB2 :: 1.3070 HB3 :: 1.3070 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8230 Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.34 C Shift Assignments>> CA :: 53.3510 CB :: 26.4550 CG :: 31.6770(S) 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 :: 8.0180 HA :: 4.2530 HB2 :: 2.0850 HB3 :: 1.9100 HG2 :: 2.3670 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 :: 118.6270 Ave N Shift Values>> N :: 120.67(3.48) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 C 0.13 D 0.08 L 0.01 E 0.01 C Shift Assignments>> CA :: 51.8790 CB :: 37.8560 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 :: 7.8690 HA :: 4.4390 HB2 :: 2.7020 HB3 :: 2.6170 HD21 :: 7.4550 HD22 :: 6.7760 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 :: 124.1490 ND2 :: 112.8590 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 19 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 8 #Indeterminable: 0 Typing Results: #Consistent: 19 #Suspicious: 1 #Mistyped: 8 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 28 #Suspicious: 0 C Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 H Shift Results: #Consistent: 171 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 29 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E11 Typing: Mistyped 1.E11 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04 1.L17 Typing: Suspicious 1.L17 CB = 30.2720(S), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5216e-10 1.K18 Typing: Mistyped 1.E19 Typing: Mistyped 1.E19 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04 1.K21 Typing: Mistyped 1.E22 Typing: Mistyped 1.E22 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04 1.E25 Typing: Mistyped 1.E25 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04 1.E26 Typing: Mistyped 1.E26 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04 1.E28 Typing: Mistyped 1.E28 CG = 31.6770(S), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9515e-04