Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 C 0.1 F 0.04 Y 0.02 L 0.01 I 0.01 C Shift Assignments>> CA :: 61.2660 CB :: 44.6750 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 3.9250 HB2 :: 3.0840 HB3 :: 3.0840 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.23 A 0.11 G 0.03 C Shift Assignments>> CA :: 54.4870 CB :: 42.7500 CG :: 26.8590 CD1 :: 25.4020 CD2 :: 22.2880 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 :: 9.0010 HA :: 4.5470 HB2 :: 2.0950 HB3 :: 1.4720 HG :: 1.7020 HD11 :: 1.0150 HD12 :: 1.0150 HD13 :: 1.0150 HD21 :: 0.9160 HD22 :: 0.9160 HD23 :: 0.9160 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 :: 120.6180 Ave N Shift Values>> N :: 121.86(3.9) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.43 Q 0.05 I 0.01 C Shift Assignments>> CA :: 56.1250 CB :: 30.8690 CG :: 36.3150 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 :: 8.8740 HA :: 4.1230 HB2 :: 2.0870 HB3 :: 1.9350 HG2 :: 2.3780 HG3 :: 2.3570 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 :: 124.8900 Ave N Shift Values>> N :: 120.67(3.48) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.1200 CB :: 62.9600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6700 HA :: 3.7450 HB2 :: 3.7260 HB3 :: 3.5990 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 :: 118.4280 Ave N Shift Values>> N :: 116.28(3.52) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 F 0.01 C Shift Assignments>> CA :: 45.1750 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.3100 HA2 :: 3.4010 HA3 :: 4.3580 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5050 Ave N Shift Values>> N :: 109.67(3.87) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 62.9600 CB :: 69.4890 CG2 :: 22.6150 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 :: 7.6410 HA :: 4.2540 HB :: 4.0100 HG21 :: 1.5000 HG22 :: 1.5000 HG23 :: 1.5000 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 :: 116.0150 Ave N Shift Values>> N :: 115.42(4.75) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.8450 CB :: 63.9490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3370 HA :: 4.7700 HB2 :: 3.9110 HB3 :: 3.8320 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 :: 120.3960 Ave N Shift Values>> N :: 116.28(3.52) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.15 L 0.09 C Shift Assignments>> CA :: 53.4480 CB :: 47.8200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.2310 HA :: 4.8550 HB2 :: 2.7670 HB3 :: 3.1510 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.0690 Ave N Shift Values>> N :: 120.17(4.64) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.47 A 0.03 C Shift Assignments>> CA :: 57.4160 CB :: 38.4240 CG1 :: 27.2740 CG2 :: 16.9930 CD1 :: 12.3760 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 :: 8.3600 HA :: 4.4270 HB :: 1.7900 HG12 :: 1.5190 HG13 :: 1.1870 HG21 :: 0.8830 HG22 :: 0.8830 HG23 :: 0.8830 HD11 :: 0.8920 HD12 :: 0.8920 HD13 :: 0.8920 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 :: 121.9980 Ave N Shift Values>> N :: 121.46(4.28) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 64.0090 CB :: 32.1250 CG :: 27.8040 CD :: 51.1270 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.8830 HB2 :: 1.8600 HB3 :: 2.0740 HG2 :: 1.8140 HG3 :: 1.3650 HD2 :: 3.3680 HD3 :: 3.7600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.21 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2750 HA2 :: 4.2400 HA3 :: 3.7680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6860 Ave N Shift Values>> N :: 109.67(3.87) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.0000 CB :: 19.7570 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1130 HA :: 4.4590 HB1 :: 1.3840 HB2 :: 1.3840 HB3 :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1800 Ave N Shift Values>> N :: 123.23(3.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 C 0.41 E 0.05 C Shift Assignments>> CA :: 55.2670 CB :: 27.8240 CG :: 33.7800 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 :: 8.2360 HA :: 4.2470 HB2 :: 1.8480 HB3 :: 2.1220 HG2 :: 2.2350 HG3 :: 2.2350 HE21 :: 7.4220 HE22 :: 6.6690 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 :: 118.1100 NE2 :: 111.3000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.5 C 0.48 C Shift Assignments>> CA :: 56.6810 CB :: 31.7020 CD2 :: 120.2400 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 6.9250 HA :: 4.3800 HB2 :: 3.0270 HB3 :: 3.2400 HD2 :: 7.4000 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.15 C 0.1 Y 0.09 F 0.08 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.6070 CB :: 38.6080 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 :: 7.9320 HA :: 4.3700 HB2 :: 3.0790 HB3 :: 2.5300 HD21 :: 7.2090 HD22 :: 6.7180 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.7850 ND2 :: 110.6400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.34 C 0.33 Q 0.13 Y 0.07 F 0.03 I 0.02 H 0.01 N 0.01 V 0.01 C Shift Assignments>> CA :: 56.6000 CB :: 35.4370 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.2790 HA :: 4.9260 HB2 :: 2.4900 HB3 :: 3.2740 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 D 0.08 L 0.08 I 0.08 N 0.02 C Shift Assignments>> CA :: 57.5770 CB :: 39.8500 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.1240 HA :: 4.3190 HB2 :: 2.8650 HB3 :: 3.1420 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 128.1670 Ave N Shift Values>> N :: 120.17(4.64) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.7410 CB :: 64.5900 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0570 HA :: 4.1620 HB2 :: 4.0460 HB3 :: 3.9510 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 :: 112.3200 Ave N Shift Values>> N :: 116.28(3.52) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.12 C 0.03 F 0.01 C Shift Assignments>> CA :: 45.1080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8190 HA2 :: 3.8480 HA3 :: 4.3710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.7940 Ave N Shift Values>> N :: 109.67(3.87) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> CA :: 61.9260 CB :: 35.3730 CG1 :: 21.0400 CG2 :: 20.5670 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 :: 7.5410 HA :: 4.2060 HB :: 1.8530 HG11 :: 0.6840 HG12 :: 0.6840 HG13 :: 0.6840 HG21 :: 0.7400 HG22 :: 0.7400 HG23 :: 0.7400 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 :: 119.9390 Ave N Shift Values>> N :: 121.14(4.54) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 D 0.34 F 0.08 C 0.06 Y 0.05 N 0.05 G 0.01 C Shift Assignments>> CA :: 54.0610 CB :: 42.2420 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9560 HA :: 4.7310 HB2 :: 2.1230 HB3 :: 2.3780 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.7180 Ave N Shift Values>> N :: 120.17(4.64) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 60.6870 CB :: 33.1090 CG1 :: 20.6270 CG2 :: 21.7770 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 :: 9.0810 HA :: 4.0780 HB :: 2.2480 HG11 :: 0.8980 HG12 :: 0.8980 HG13 :: 0.8980 HG21 :: 0.9800 HG22 :: 0.9800 HG23 :: 0.9800 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 :: 131.5550 Ave N Shift Values>> N :: 121.14(4.54) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.1950 CB :: 32.3600 CG :: 27.7070 CD :: 50.9700 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5070 HB2 :: 1.8560 HB3 :: 2.2070 HG2 :: 2.0830 HG3 :: 1.7590 HD2 :: 3.6370 HD3 :: 4.1260 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.2300 CB :: 39.2630 CG1 :: 27.3360 CG2 :: 17.9380 CD1 :: 12.7620 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 :: 8.4770 HA :: 4.3030 HB :: 1.8270 HG12 :: 1.5410 HG13 :: 1.2500 HG21 :: 0.9740 HG22 :: 0.9740 HG23 :: 0.9740 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 :: 121.7820 Ave N Shift Values>> N :: 121.46(4.28) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> CA :: 64.9230 CB :: 32.5050 CG1 :: 21.6160 CG2 :: 21.1980 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 :: 8.1490 HA :: 3.9580 HB :: 2.3840 HG11 :: 1.0580 HG12 :: 1.0580 HG13 :: 1.0580 HG21 :: 0.9950 HG22 :: 0.9950 HG23 :: 0.9950 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 :: 119.0060 Ave N Shift Values>> N :: 121.14(4.54) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 V 0.01 HN Overlap>> 1.G30 1.G30 C Shift Assignments>> CB :: 70.8030 CG2 :: 22.1230 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 :: 8.3790 HA :: 4.2460 HB :: 4.3320 HG21 :: 1.2890 HG22 :: 1.2890 HG23 :: 1.2890 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 :: 113.3480 Ave N Shift Values>> N :: 115.42(4.75) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.5080 CB :: 38.5530 CG1 :: 26.1800 CG2 :: 17.8920 CD1 :: 14.0310 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 :: 7.6580 HA :: 4.0620 HB :: 1.8440 HG12 :: 0.6030 HG13 :: 0.7550 HG21 :: 0.6510 HG22 :: 0.6510 HG23 :: 0.6510 HD11 :: 0.6110 HD12 :: 0.6110 HD13 :: 0.6110 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 :: 112.8050 Ave N Shift Values>> N :: 121.46(4.28) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> CA :: 59.1650 CB :: 40.1750 CD1 :: 131.7000 CD2 :: 131.7000 CE1 :: 131.7000 CE2 :: 131.5000 CZ :: 129.7490 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.9130 HA :: 4.4400 HB2 :: 2.6840 HB3 :: 3.0970 HD1 :: 7.2050 HD2 :: 7.2050 HE1 :: 7.3110 HE2 :: 7.3110 HZ :: 7.2640 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.4600 Ave N Shift Values>> N :: 120.45(4.18) 1.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> CA :: 57.7030 CB :: 41.7000 CD1 :: 133.4000 CD2 :: 133.4000 CE1 :: 118.1500 CE2 :: 118.1500 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 :: 7.3940 HA :: 4.8890 HB2 :: 3.0650 HB3 :: 2.9370 HD1 :: 7.1110 HD2 :: 7.1110 HE1 :: 6.7700 HE2 :: 6.7700 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 :: 115.3100 Ave N Shift Values>> N :: 120.52(4.2) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 C 0.02 HN Overlap>> 1.T26 1.T26 C Shift Assignments>> CA :: 45.5480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2880 HA2 :: 4.7820 HA3 :: 3.6260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.3700 Ave N Shift Values>> N :: 109.67(3.87) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.26 C Shift Assignments>> CA :: 59.7870 CB :: 36.1840 CG1 :: 20.4280 CG2 :: 21.3480 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 :: 8.4580 HA :: 4.8660 HB :: 1.6790 HG11 :: 0.8060 HG12 :: 0.8060 HG13 :: 0.8060 HG21 :: 0.8210 HG22 :: 0.8210 HG23 :: 0.8210 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 :: 115.7800 Ave N Shift Values>> N :: 121.14(4.54) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.26 N 0.17 Q 0.08 Y 0.06 F 0.03 H 0.01 C Shift Assignments>> CA :: 54.2100 CB :: 35.7650 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.1230 HA :: 5.0290 HB2 :: 2.7130 HB3 :: 3.3130 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.1400 Ave N Shift Values>> N :: 120.17(4.64) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> CA :: 61.0750 CB :: 39.1550 CD1 :: 132.7500 CD2 :: 132.7500 CE1 :: 118.1500 CE2 :: 118.1500 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 :: 8.8250 HA :: 4.0450 HB2 :: 2.7000 HB3 :: 2.9320 HD1 :: 6.9810 HD2 :: 6.9810 HE1 :: 6.7790 HE2 :: 6.7790 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 :: 132.8600 Ave N Shift Values>> N :: 120.52(4.2) 2.BDF1 Overall Status: Residue type BDF not supported. ########################################################################### Overall Results: #Consistent: 33 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 33 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 208 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 30 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0