Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.44 L 0.32 G 0.08 D 0.06 K 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 170.3630 CA :: 43.4160 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9070 HA3 :: 3.9070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4230 CA :: 58.4450 CB :: 64.0390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6920 HA :: 4.4970 HB2 :: 3.8880 HB3 :: 3.8880 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 :: 116.5930 Ave N Shift Values>> N :: 116.28(3.52) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.8870 CA :: 52.6600 CB :: 19.2630 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5640 HA :: 4.3850 HB1 :: 1.4000 HB2 :: 1.4000 HB3 :: 1.4000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.9790 Ave N Shift Values>> N :: 123.23(3.54) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2940 CA :: 58.4900 CB :: 63.8630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3020 HA :: 4.4130 HB2 :: 3.8420 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 :: 115.6200 Ave N Shift Values>> N :: 116.28(3.52) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.24 Y 0.08 L 0.06 C Shift Assignments>> C :: 174.7490 CA :: 53.0710 CB :: 39.0650 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 :: 8.4190 HA :: 4.7660 HB2 :: 2.7120 HB3 :: 2.7960 HD21 :: 7.6030 HD22 :: 6.8870 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 :: 121.4190 ND2 :: 113.7000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.0540 CA :: 63.2730 CB :: 70.1870 CG2 :: 21.1530 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 :: 8.0780 HA :: 4.1310 HB :: 3.8210 HG21 :: 0.9490 HG22 :: 0.9490 HG23 :: 0.9490 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 :: 118.7170 Ave N Shift Values>> N :: 115.42(4.75) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.0750 CA :: 60.4300 CB :: 39.0690 CG1 :: 27.0630 CG2 :: 16.9470 CD1 :: 13.3830 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 :: 8.8050 HA :: 4.0720 HB :: 1.8370 HG12 :: 0.9800 HG13 :: 1.5560 HG21 :: 0.7060 HG22 :: 0.7060 HG23 :: 0.7060 HD11 :: 0.8070 HD12 :: 0.8070 HD13 :: 0.8070 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 :: 129.7310 Ave N Shift Values>> N :: 121.46(4.28) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.02 R 0.02 C Shift Assignments>> C :: 177.3720 CA :: 56.8350 CB :: 41.4260 CG :: 26.7490 CD1 :: 25.1000 CD2 :: 22.6610 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 :: 8.5980 HA :: 3.8490 HB2 :: 1.1040 HB3 :: 1.7670 HG :: 1.6950 HD11 :: 0.9540 HD12 :: 0.9540 HD13 :: 0.9540 HD21 :: 0.7380 HD22 :: 0.7380 HD23 :: 0.7380 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 :: 128.8070 Ave N Shift Values>> N :: 121.86(3.9) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 170.6080 CA :: 45.8550 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9340 HA2 :: 3.2320 HA3 :: 4.1420 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.6720 Ave N Shift Values>> N :: 109.67(3.87) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.18 Y 0.04 L 0.04 C Shift Assignments>> C :: 176.3880 CA :: 51.8620 CB :: 38.8880 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 :: 7.9800 HA :: 4.8890 HB2 :: 1.8650 HB3 :: 3.2220 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 :: 118.2430 Ave N Shift Values>> N :: 120.65(3.86) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.82 L 0.1 G 0.04 K 0.02 C Shift Assignments>> C :: 176.7170 CA :: 57.7640 CB :: 42.4230 CG :: 29.9420 CD1 :: 25.5200 CD2 :: 25.5200 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 :: 8.2690 HA :: 3.8870 HB2 :: 1.6650 HB3 :: 1.7960 HG :: 1.6520 HD11 :: 0.9080 HD12 :: 0.9080 HD13 :: 0.9080 HD21 :: 0.7550 HD22 :: 0.7550 HD23 :: 0.7550 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 :: 124.2160 Ave N Shift Values>> N :: 121.86(3.9) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.87 D 0.04 M 0.03 Y 0.02 E 0.01 C Shift Assignments>> C :: 174.8440 CA :: 50.4160 CB :: 37.2780 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 :: 7.7870 HA :: 4.8730 HB2 :: 2.6360 HB3 :: 3.3050 HD21 :: 8.0940 HD22 :: 6.7750 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 :: 111.4270 ND2 :: 112.8670 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.28 D 0.12 E 0.11 M 0.04 L 0.04 I 0.03 C Shift Assignments>> C :: 174.7260 CA :: 55.3990 CB :: 38.0110 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 :: 7.4380 HA :: 4.5450 HB2 :: 2.7910 HB3 :: 3.1380 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 :: 115.0760 Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 N 0.28 L 0.19 Y 0.06 K 0.04 C Shift Assignments>> C :: 178.1950 CA :: 53.0370 CB :: 40.6760 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 :: 8.6800 HA :: 4.7790 HB2 :: 2.3560 HB3 :: 3.0960 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 :: 118.5060 Ave N Shift Values>> N :: 120.65(3.86) 1.G15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.4670 CA :: 45.4730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.4830(S) HA2 :: 3.4510 HA3 :: 4.1880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.4180 Ave N Shift Values>> N :: 109.67(3.87) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 C Shift Assignments>> C :: 173.9330 CA :: 59.3010 CB :: 35.9090 CG1 :: 20.6090 CG2 :: 21.5250 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 :: 7.7160 HA :: 4.5310 HB :: 1.9420 HG11 :: 0.7640 HG12 :: 0.7640 HG13 :: 0.7640 HG21 :: 0.8320 HG22 :: 0.8320 HG23 :: 0.8320 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 :: 116.5560 Ave N Shift Values>> N :: 121.14(4.54) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.8960 CA :: 61.4460 CB :: 30.8600 CG1 :: 21.3460 CG2 :: 21.3460 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 :: 8.9640 HA :: 4.6630 HB :: 1.9460 HG11 :: 0.6530 HG12 :: 0.6530 HG13 :: 0.6530 HG21 :: 0.7480 HG22 :: 0.7480 HG23 :: 0.7480 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 :: 130.4600 Ave N Shift Values>> N :: 121.14(4.54) 1.N18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.7 D 0.19 Y 0.04 L 0.04 C Shift Assignments>> C :: 176.2240 CA :: 51.8770 CB :: 38.9560 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 :: 10.5030(S) HA :: 4.8340 HB2 :: 2.9130 HB3 :: 3.4470 HD21 :: 7.9600 HD22 :: 7.4640 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 :: 128.6490 ND2 :: 114.7280 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 176.5720 CA :: 47.5060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8080 HA2 :: 3.8150 HA3 :: 4.0760 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.3200 Ave N Shift Values>> N :: 109.67(3.87) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.11 G 0.08 L 0.06 C Shift Assignments>> C :: 179.2370 CA :: 58.6880 CB :: 29.0010 CG :: 27.1720 CD :: 43.1460 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8310 HA :: 4.1460 HB2 :: 1.8910 HB3 :: 1.9760 HG2 :: 1.6600 HG3 :: 1.7210 HD2 :: 3.1680 HD3 :: 3.2570 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.3470 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Y 0.2 L 0.18 R 0.12 D 0.07 I 0.05 C Shift Assignments>> C :: 177.9290 CA :: 58.2600 CB :: 41.9050 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 :: 7.6110 HA :: 4.4180 HB2 :: 3.1640 HB3 :: 3.3150 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 :: 118.6730 Ave N Shift Values>> N :: 120.65(3.86) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.4460 CA :: 66.2340 CB :: 37.6230 CG1 :: 30.1540 CG2 :: 17.3590 CD1 :: 14.4120 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 :: 7.1790 HA :: 3.5040 HB :: 2.0980 HG12 :: 0.7440 HG13 :: 1.0370 HG21 :: 0.9060 HG22 :: 0.9060 HG23 :: 0.9060 HD11 :: 0.8630 HD12 :: 0.8630 HD13 :: 0.8630 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 :: 118.1710 Ave N Shift Values>> N :: 121.46(4.28) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.6170 CA :: 67.1890 CB :: 31.9070 CG1 :: 20.9810 CG2 :: 22.8830 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 :: 7.6100 HA :: 3.5410 HB :: 2.1640 HG11 :: 0.9360 HG12 :: 0.9360 HG13 :: 0.9360 HG21 :: 1.1090 HG22 :: 1.1090 HG23 :: 1.1090 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 :: 119.6700 Ave N Shift Values>> N :: 121.14(4.54) 1.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.21 Q 0.16 C Shift Assignments>> C :: 177.4760 CA :: 59.8760 CB :: 34.4340 CG :: 32.8850 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 :: 7.4970 HA :: 4.0100 HB2 :: 2.0080 HB3 :: 2.2070 HG2 :: 2.8880 HG3 :: 2.8800 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 :: 117.5150 Ave N Shift Values>> N :: 120.09(3.57) 1.M25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 Q 0.38 M 0.14 K 0.04 C Shift Assignments>> C :: 178.0790 CA :: 58.1650 CB :: 31.7430 CG :: 34.5790 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 :: 8.2830 HA :: 4.1300 HB2 :: 2.0070 HB3 :: 2.3110 HG2 :: 2.3540 HG3 :: 2.5550 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 :: 120.3810 Ave N Shift Values>> N :: 120.09(3.57) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 R 0.32 K 0.08 C Shift Assignments>> C :: 180.2110 CA :: 60.8870 CB :: 30.1960 CG :: 29.4510 CD :: 43.7370 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6770 HA :: 3.8730 HB2 :: 1.8280 HB3 :: 1.9960 HG2 :: 1.6240 HG3 :: 1.8960 HD2 :: 3.1630 HD3 :: 3.2230 HE :: 7.2070 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2920 NE :: 85.0980 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.35 E 0.15 I 0.06 R 0.05 M 0.01 C Shift Assignments>> C :: 177.7940 CA :: 59.1870 CB :: 28.7150 CG :: 34.2360 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 :: 8.1270 HA :: 4.0040 HB2 :: 1.7990 HB3 :: 2.3070 HG2 :: 2.3220 HG3 :: 2.6720 HE21 :: 7.2330 HE22 :: 6.7020 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 :: 119.0910 NE2 :: 110.9140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 181.2070 CA :: 62.2780 CB :: 38.7500 CD1 :: 132.9540 CD2 :: 132.9540 CE1 :: 118.6540 CE2 :: 118.6540 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 :: 8.6730 HA :: 4.0940 HB2 :: 3.0580 HB3 :: 3.1680 HD1 :: 6.9960 HD2 :: 6.9960 HE1 :: 6.7720 HE2 :: 6.7720 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 :: 122.2630 Ave N Shift Values>> N :: 120.52(4.2) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 R 0.36 A 0.08 C Shift Assignments>> C :: 178.1220 CA :: 57.1590 CB :: 41.3500 CG :: 27.1640 CD1 :: 22.1610 CD2 :: 27.5200 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 :: 8.7990 HA :: 4.0360 HB2 :: 1.5340 HB3 :: 1.9320 HG :: 2.0520 HD11 :: 0.9220 HD12 :: 0.9220 HD13 :: 0.9220 HD21 :: 0.9220 HD22 :: 0.9220 HD23 :: 0.9220 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 :: 121.0430 Ave N Shift Values>> N :: 121.86(3.9) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 177.7260 CA :: 52.2020 CB :: 18.7720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5000 HA :: 4.4070 HB1 :: 1.5350 HB2 :: 1.5350 HB3 :: 1.5350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7830 Ave N Shift Values>> N :: 123.23(3.54) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.9730 CA :: 45.5030 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7330 HA2 :: 3.6550 HA3 :: 4.0950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0690 Ave N Shift Values>> N :: 109.67(3.87) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.32 G 0.01 C Shift Assignments>> C :: 176.5120 CA :: 54.9990 CB :: 32.6830 CG :: 24.9430 CD :: 28.4920 CE :: 42.4080 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 :: 7.6370 HA :: 4.3380 HB2 :: 1.5300 HB3 :: 1.7650 HG2 :: 1.3560 HG3 :: 1.4100 HD2 :: 1.5840 HD3 :: 1.5840 HE2 :: 2.9310 HE3 :: 2.9670 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 :: 119.9350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I59 1.I59 C Shift Assignments>> C :: 174.4090 CA :: 63.0890 CB :: 68.8870 CG2 :: 21.4310 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 :: 8.5590 HA :: 4.2460 HB :: 4.0690 HG21 :: 1.1840 HG22 :: 1.1840 HG23 :: 1.1840 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 :: 119.6100 Ave N Shift Values>> N :: 115.42(4.75) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.9140 CA :: 61.3120 CB :: 32.4400 CG1 :: 20.6840 CG2 :: 22.7830 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 :: 9.0960 HA :: 4.1650 HB :: 2.1350 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 0.9470 HG22 :: 0.9470 HG23 :: 0.9470 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 :: 130.6030 Ave N Shift Values>> N :: 121.14(4.54) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9200 CA :: 59.7990 CB :: 63.0300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7410 HA :: 4.2700 HB2 :: 3.8440 HB3 :: 3.8440 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 :: 124.0480 Ave N Shift Values>> N :: 116.28(3.52) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.3580 CA :: 45.7920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9490 HA2 :: 3.7680 HA3 :: 3.9710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.7020 Ave N Shift Values>> N :: 109.67(3.87) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.7770 CA :: 61.3610 CB :: 39.1910 CG1 :: 30.0530 CG2 :: 16.2110 CD1 :: 15.2880 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 :: 7.2060 HA :: 4.1030 HB :: 1.6170 HG12 :: 0.8420 HG13 :: 1.4680 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 HD11 :: 0.7830 HD12 :: 0.7830 HD13 :: 0.7830 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 :: 120.1520 Ave N Shift Values>> N :: 121.46(4.28) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.79 D 0.11 Y 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 176.8420 CA :: 51.8780 CB :: 38.1220 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 :: 8.8410 HA :: 4.6800 HB2 :: 2.7660 HB3 :: 2.9760 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 :: 126.3990 Ave N Shift Values>> N :: 120.65(3.86) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.61 R 0.37 G 0.01 C Shift Assignments>> C :: 178.3330 CA :: 58.4820 CB :: 31.5460 CG :: 25.9680 CD :: 29.4940 CE :: 42.0670 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 :: 8.6570 HA :: 3.7730 HB2 :: 1.7850 HB3 :: 1.8520 HG2 :: 1.2280 HG3 :: 1.5850 HD2 :: 1.7380 HD3 :: 1.7380 HE2 :: 3.0580 HE3 :: 3.0580 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 :: 124.6060 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 Y 0.18 D 0.13 E 0.06 L 0.04 M 0.03 I 0.01 C Shift Assignments>> C :: 175.3720 CA :: 54.5390 CB :: 38.0720 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 :: 8.1990 HA :: 4.5420 HB2 :: 2.7950 HB3 :: 2.8670 HD21 :: 7.8730 HD22 :: 7.0520 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 :: 115.9090 ND2 :: 115.7410 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.08 M 0.01 C Shift Assignments>> C :: 176.7160 CA :: 51.6580 CB :: 21.0310 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4440 HA :: 4.2650 HB1 :: 1.3160 HB2 :: 1.3160 HB3 :: 1.3160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.4800 Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.3 C Shift Assignments>> C :: 176.5890 CA :: 57.5930 CB :: 45.5370 CG :: 26.2700 CD1 :: 24.1110 CD2 :: 25.8050 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 :: 6.4810 HA :: 3.8090 HB2 :: 1.3450 HB3 :: 1.6110 HG :: 1.4630 HD11 :: 0.4630 HD12 :: 0.4630 HD13 :: 0.4630 HD21 :: 0.3660 HD22 :: 0.3660 HD23 :: 0.3660 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 :: 116.3530 Ave N Shift Values>> N :: 121.86(3.9) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.09 Y 0.05 M 0.02 L 0.01 E 0.01 C Shift Assignments>> C :: 177.0150 CA :: 52.1380 CB :: 37.8860 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 :: 8.0700 HA :: 4.7280 HB2 :: 2.1440 HB3 :: 2.7750 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 :: 114.9860 Ave N Shift Values>> N :: 120.65(3.86) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.7760 CA :: 63.4780 CB :: 38.2170 CG1 :: 28.8280 CG2 :: 17.7000 CD1 :: 13.6060 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 :: 8.0490 HA :: 3.5460 HB :: 1.8350 HG12 :: 1.3270 HG13 :: 1.7220 HG21 :: 0.8560 HG22 :: 0.8560 HG23 :: 0.8560 HD11 :: 0.8080 HD12 :: 0.8080 HD13 :: 0.8080 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 :: 126.0050 Ave N Shift Values>> N :: 121.46(4.28) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 D 0.08 Y 0.04 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 176.6730 CA :: 51.5470 CB :: 37.8330 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 :: 7.9560 HA :: 4.7360 HB2 :: 2.5750 HB3 :: 3.3650 HD21 :: 8.3790 HD22 :: 6.8800 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 :: 112.8930 ND2 :: 113.6330 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 A 0.06 L 0.04 N 0.02 C Shift Assignments>> C :: 174.9820 CA :: 47.7080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4710 HA2 :: 3.8340 HA3 :: 4.0860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2620 Ave N Shift Values>> N :: 109.67(3.87) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.28 L 0.18 Y 0.07 K 0.03 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> C :: 177.7850 CA :: 53.3470 CB :: 40.5200 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 :: 8.0240 HA :: 4.5520 HB2 :: 2.4070 HB3 :: 3.0980 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 :: 119.3390 Ave N Shift Values>> N :: 120.65(3.86) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 173.0020 CA :: 45.5790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.2440 HA2 :: 3.5080 HA3 :: 4.2050 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.9190 Ave N Shift Values>> N :: 109.67(3.87) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.26 C Shift Assignments>> C :: 176.4120 CA :: 49.9650 CB :: 22.4160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9470 HA :: 4.7430 HB1 :: 1.2480 HB2 :: 1.2480 HB3 :: 1.2480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8260 Ave N Shift Values>> N :: 123.23(3.54) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.2020 CA :: 61.5450 CB :: 31.9010 CG1 :: 22.6710 CG2 :: 21.1580 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 :: 9.0690 HA :: 4.8920 HB :: 2.1710 HG11 :: 0.9910 HG12 :: 0.9910 HG13 :: 0.9910 HG21 :: 0.7460 HG22 :: 0.7460 HG23 :: 0.7460 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 :: 126.2140 Ave N Shift Values>> N :: 121.14(4.54) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.18 Y 0.05 L 0.04 C Shift Assignments>> C :: 176.2030 CA :: 52.2780 CB :: 38.7990 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 :: 9.7880 HA :: 4.8640 HB2 :: 3.1560 HB3 :: 3.3680 HD21 :: 7.9930 HD22 :: 7.4800 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 :: 126.5110 ND2 :: 116.2980 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.02 C Shift Assignments>> C :: 176.6800 CA :: 47.3430 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8430 HA2 :: 3.8640 HA3 :: 4.1260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.7580 Ave N Shift Values>> N :: 109.67(3.87) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.1 G 0.09 L 0.04 C Shift Assignments>> C :: 179.6750 CA :: 59.1610 CB :: 29.0610 CG :: 27.2720 CD :: 43.1330 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1150 HA :: 4.2580 HB2 :: 1.8950 HB3 :: 1.9880 HG2 :: 1.6660 HG3 :: 1.7650 HD2 :: 3.2090 HD3 :: 3.2620 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.4020 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 K 0.25 L 0.15 I 0.13 D 0.07 R 0.02 C Shift Assignments>> C :: 177.8350 CA :: 58.7190 CB :: 41.1720 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 :: 7.8970 HA :: 4.3890 HB2 :: 2.9750 HB3 :: 3.2490 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 :: 118.5490 Ave N Shift Values>> N :: 120.65(3.86) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 C Shift Assignments>> C :: 177.3720 CA :: 58.3220 CB :: 40.7090 CG :: 27.0550 CD1 :: 26.5110 CD2 :: 23.7580 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 :: 6.8770 HA :: 4.2280 HB2 :: 1.4500 HB3 :: 2.1920 HG :: 1.7000 HD11 :: 0.9820 HD12 :: 0.9820 HD13 :: 0.9820 HD21 :: 0.9480 HD22 :: 0.9480 HD23 :: 0.9480 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 :: 119.4840 Ave N Shift Values>> N :: 121.86(3.9) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 Q 0.14 K 0.04 C Shift Assignments>> C :: 179.5360 CA :: 58.9650 CB :: 32.0000 CG :: 31.9820 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 :: 7.9580 HA :: 4.1480 HB2 :: 2.6490 HB3 :: 2.7550 HG2 :: 2.2310 HG3 :: 2.2310 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 :: 117.8990 Ave N Shift Values>> N :: 120.09(3.57) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.2 I 0.15 Q 0.15 M 0.02 C Shift Assignments>> C :: 178.8150 CA :: 58.8370 CB :: 29.0400 CG :: 35.6200 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 :: 7.9740 HA :: 4.1380 HB2 :: 2.0830 HB3 :: 2.0830 HG2 :: 2.2930 HG3 :: 2.4550 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 :: 119.2300 Ave N Shift Values>> N :: 120.67(3.48) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 R 0.33 G 0.03 K 0.01 C Shift Assignments>> C :: 177.8640 CA :: 58.3910 CB :: 42.3300 CG :: 27.0210 CD1 :: 24.5970 CD2 :: 27.0210 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 :: 8.4060 HA :: 4.0180 HB2 :: 1.6700 HB3 :: 2.2250 HG :: 1.5600 HD11 :: 0.9980 HD12 :: 0.9980 HD13 :: 0.9980 HD21 :: 0.8510 HD22 :: 0.8510 HD23 :: 0.8510 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 :: 124.1380 Ave N Shift Values>> N :: 121.86(3.9) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.T33 1.T33 C Shift Assignments>> C :: 179.2210 CA :: 66.1290 CB :: 38.4790 CG1 :: 30.1320 CG2 :: 17.4000 CD1 :: 14.3940 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 :: 8.4610 HA :: 3.5080 HB :: 1.8870 HG12 :: 1.0340 HG13 :: 1.8230 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 HD11 :: 0.8640 HD12 :: 0.8640 HD13 :: 0.8640 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 :: 119.6310 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 G 0.01 C Shift Assignments>> C :: 178.6090 CA :: 59.5690 CB :: 32.4700 CG :: 24.9880 CD :: 29.6080 CE :: 42.1300 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 :: 7.6610 HA :: 4.0410 HB2 :: 1.9120 HB3 :: 1.9450 HG2 :: 1.5640 HG3 :: 1.4090 HD2 :: 1.6390 HD3 :: 1.6870 HE2 :: 2.9510 HE3 :: 2.9400 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 :: 120.7800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.13 G 0.01 C Shift Assignments>> C :: 179.0670 CA :: 59.4010 CB :: 32.7190 CG :: 24.9990 CD :: 29.6320 CE :: 41.9560 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 :: 8.0720 HA :: 4.0880 HB2 :: 1.9290 HB3 :: 2.0170 HG2 :: 1.6400 HG3 :: 1.4900 HD2 :: 1.6480 HD3 :: 1.7000 HE2 :: 2.9620 HE3 :: 2.9440 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 :: 120.4370 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D47 1.D47 C Shift Assignments>> C :: 178.1270 CA :: 65.5180 CB :: 32.0750 CG1 :: 21.5430 CG2 :: 23.3550 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 :: 8.0740 HA :: 3.7490 HB :: 2.0670 HG11 :: 0.9220 HG12 :: 0.9220 HG13 :: 0.9220 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 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 :: 119.3900 Ave N Shift Values>> N :: 121.14(4.54) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9890 CA :: 60.4630 CB :: 63.4960 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2290 HA :: 4.3220 HB2 :: 3.9830 HB3 :: 3.9830 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 :: 116.4770 Ave N Shift Values>> N :: 116.28(3.52) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.23 Y 0.12 L 0.07 M 0.01 C Shift Assignments>> C :: 175.2100 CA :: 53.8070 CB :: 38.8660 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 :: 8.0120 HA :: 4.7470 HB2 :: 2.8530 HB3 :: 2.9770 HD21 :: 7.6270 HD22 :: 6.9330 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 :: 119.5190 ND2 :: 113.3750 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.23 Y 0.11 L 0.07 C Shift Assignments>> C :: 175.6060 CA :: 53.7090 CB :: 38.9030 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 :: 8.1300 HA :: 4.8370 HB2 :: 2.9040 HB3 :: 2.9790 HD21 :: 7.7110 HD22 :: 7.0030 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 :: 119.5370 ND2 :: 112.9930 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.0730 CA :: 61.8600 CB :: 69.9930 CG2 :: 21.1540 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 :: 8.1520 HA :: 4.4620 HB :: 4.3760 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 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 :: 114.5220 Ave N Shift Values>> N :: 115.42(4.75) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.2000 CB :: 64.9370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0510 HA :: 4.3210 HB2 :: 3.8970 HB3 :: 3.8970 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 :: 124.2700 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 65 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 67 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 67 #Suspicious: 0 C Shift Results: #Consistent: 266 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 441 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 76 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G15 H = 10.4830(S), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2530e-04 1.N18 H = 10.5030(S), Expected = 8.34, Std = 0.6300, ChiSquare = 5.9621e-04