Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.8800 CB :: 63.7970 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.2700 HB2 :: 4.0900 HB3 :: 4.2700 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.79 R 0.18 G 0.01 C Shift Assignments>> C :: 177.8520 CA :: 58.7910 CB :: 32.4390 CG :: 24.7100 CD :: 29.2620 CE :: 42.2320 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>> HA :: 4.2670 HB2 :: 1.8960 HG2 :: 1.4950 HG3 :: 1.4360 HD2 :: 1.7370 HE2 :: 3.0260 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) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.36 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.1030 CA :: 59.5740 CB :: 29.1740 CG :: 36.5130 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 :: 8.9400 HA :: 4.1620 HB2 :: 1.9980 HB3 :: 2.0970 HG2 :: 2.3050 HG3 :: 2.4140 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 :: 120.2480 Ave N Shift Values>> N :: 120.67(3.48) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.25 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.8110 CA :: 58.7230 CB :: 29.5880 CG :: 36.7880 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 :: 7.9630 HA :: 4.1290 HB2 :: 2.1260 HG2 :: 2.3450 HG3 :: 2.3160 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 :: 120.4330 Ave N Shift Values>> N :: 120.67(3.48) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 D 0.18 L 0.15 N 0.05 I 0.04 K 0.04 HN Overlap>> 1.E8 1.Q17 1.E8 1.Q17 C Shift Assignments>> C :: 178.7110 CA :: 56.7070 CB :: 40.2400 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 :: 8.2330 HA :: 4.5200 HB2 :: 2.8650 HB3 :: 2.7990 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 :: 122.2970 Ave N Shift Values>> N :: 120.65(3.86) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.34 K 0.06 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.5920 CA :: 59.2000 CB :: 29.4400 CG :: 36.8680 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 :: 8.4760 HA :: 4.1580 HB2 :: 2.0720 HB3 :: 1.9910 HG2 :: 2.4100 HG3 :: 2.3170 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 :: 122.5970 Ave N Shift Values>> N :: 120.67(3.48) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.23 G 0.01 HN Overlap>> 1.Q86 1.Q86 C Shift Assignments>> C :: 179.8850 CA :: 59.6810 CB :: 32.3340 CG :: 25.3760 CD :: 29.6850 CE :: 42.2150 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 :: 7.9720 HA :: 4.1060 HB2 :: 2.0300 HG2 :: 1.5600 HG3 :: 1.6800 HD2 :: 1.7480 HE2 :: 3.0450 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 :: 120.2800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 K 0.36 E 0.11 R 0.08 I 0.03 M 0.02 HN Overlap>> 1.Q17 1.D5 1.Q17 1.D5 C Shift Assignments>> C :: 178.3540 CA :: 58.2070 CB :: 28.5350 CG :: 33.9950 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 :: 8.1700 HA :: 4.7810 HB2 :: 2.1700 HB3 :: 2.0440 HG2 :: 2.5330 HG3 :: 2.3340 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 :: 122.2270 Ave N Shift Values>> N :: 120.67(3.48) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.2440 CA :: 62.5090 CB :: 62.1660 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3960 HA :: 4.0500 HB2 :: 4.2530 HB3 :: 4.3480 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 :: 115.9380 Ave N Shift Values>> N :: 116.28(3.52) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 E 0.13 R 0.07 I 0.05 M 0.01 HN Overlap>> 1.I29 1.I29 C Shift Assignments>> C :: 178.2280 CA :: 58.7830 CB :: 28.4950 CG :: 34.1330 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 :: 8.1180 HA :: 4.2090 HB2 :: 2.2940 HB3 :: 2.0860 HG2 :: 2.6920 HG3 :: 2.4970 HE21 :: 7.6300 HE22 :: 6.8470 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 :: 121.1130 NE2 :: 112.0410 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R11 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.57 R 0.34 G 0.07 HN Overlap>> 1.A94 1.I52 1.A94 1.I52 C Shift Assignments>> C :: 178.0780 CA :: 61.0850 CB :: 31.9140 CG :: 28.8220 CD :: 42.6610 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 :: 8.1620 HA :: 3.9100 HB2 :: 2.4560 HB3 :: 2.0870 HG2 :: 1.6880 HG3 :: 1.8360 HD2 :: 4.1600(S) HD3 :: 3.0260 HE :: 9.0960 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 :: 124.2010 NE :: 85.0350 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.0360 CA :: 62.6860 CB :: 36.8040 CG1 :: 28.0540 CG2 :: 17.7620 CD1 :: 10.9540 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 :: 8.5350 HA :: 3.6670 HB :: 2.0680 HG13 :: 1.5650 HG21 :: 0.9280 HG22 :: 0.9280 HG23 :: 0.9280 HD11 :: 0.8140 HD12 :: 0.8140 HD13 :: 0.8140 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 :: 118.8630 Ave N Shift Values>> N :: 121.46(4.28) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.25 I 0.06 C Shift Assignments>> C :: 181.4740 CA :: 55.6470 CB :: 17.7060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0890 HA :: 4.2150 HB1 :: 1.5700 HB2 :: 1.5700 HB3 :: 1.5700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6640 Ave N Shift Values>> N :: 123.23(3.54) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> CA :: 64.0340 CB :: 63.2210 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9120 HA :: 4.3260 HB2 :: 4.1890 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 :: 116.8010 Ave N Shift Values>> N :: 116.28(3.52) 1.K15 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.1 G 0.01 C Shift Assignments>> C :: 177.4770 CA :: 60.5810 CB :: 31.7230 CG :: 24.4880 CD :: 29.5130 CE :: 41.9940 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 :: 7.9210 HA :: 2.8350 HB2 :: 1.6330 HB3 :: 0.8710 HG2 :: 1.1700 HG3 :: 0.8210 HD2 :: 1.5040 HD3 :: 1.6140 HE2 :: 2.8670 HE3 :: 2.9770 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 :: 126.6560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.22 F 0.16 E 0.15 D 0.06 M 0.05 I 0.03 L 0.02 K 0.01 C Shift Assignments>> C :: 178.7640 CA :: 55.4640 CB :: 37.6460 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 :: 8.7580 HA :: 4.4410 HB2 :: 2.8550 HD21 :: 7.5140 HD22 :: 6.8110 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 :: 116.6070 ND2 :: 111.1330 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.35 E 0.15 I 0.05 R 0.04 M 0.02 HN Overlap>> 1.E8 1.E8 1.D5 1.D5 C Shift Assignments>> C :: 177.0150 CA :: 59.1000 CB :: 28.9310 CG :: 34.1960 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 :: 8.2570 HA :: 4.1910 HB2 :: 2.2440 HB3 :: 2.1630 HG2 :: 2.3970 HE21 :: 7.5280 HE22 :: 6.8730 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 :: 122.2980 NE2 :: 111.5870 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 R 0.41 K 0.08 G 0.01 C Shift Assignments>> C :: 177.1380 CA :: 58.5710 CB :: 41.5830 CG :: 27.6140 CD1 :: 23.4330 CD2 :: 27.6140 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 :: 7.7400 HA :: 4.0970 HB2 :: 2.2320 HB3 :: 1.6700 HG :: 1.3900 HD11 :: 0.9340 HD12 :: 0.9340 HD13 :: 0.9340 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 :: 120.3290 Ave N Shift Values>> N :: 121.86(3.9) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.35 M 0.06 K 0.01 C Shift Assignments>> C :: 177.6680 CA :: 60.4390 CB :: 30.7740 CG :: 37.0540 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 :: 8.2490 HA :: 3.6360 HB2 :: 2.1810 HG2 :: 2.3730 HG3 :: 2.3100 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 :: 117.6720 Ave N Shift Values>> N :: 120.67(3.48) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.6420 CA :: 61.7080 CB :: 63.1800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3560 HA :: 4.2990 HB2 :: 4.0340 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 :: 112.1220 Ave N Shift Values>> N :: 116.28(3.52) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.7310 CA :: 64.3010 CB :: 36.7830 CG1 :: 29.5380 CG2 :: 16.9020 CD1 :: 12.4360 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 :: 8.4850 HA :: 3.9190 HB :: 1.9960 HG12 :: 1.3910 HG13 :: 1.7080 HG21 :: 0.8970 HG22 :: 0.8970 HG23 :: 0.8970 HD11 :: 0.8540 HD12 :: 0.8540 HD13 :: 0.8540 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 :: 123.3670 Ave N Shift Values>> N :: 121.46(4.28) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 I 0.18 A 0.08 C Shift Assignments>> C :: 179.4820 CA :: 56.9940 CB :: 17.5520 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4030 HA :: 3.9690 HB1 :: 1.3880 HB2 :: 1.3880 HB3 :: 1.3880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1360 Ave N Shift Values>> N :: 123.23(3.54) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.8250 CA :: 63.2140 CB :: 37.8800 CD1 :: 133.3450 CE1 :: 118.0260 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 :: 8.2420 HA :: 4.1080 HB2 :: 3.0250 HD1 :: 7.3610 HE1 :: 6.9220 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 :: 113.9180 Ave N Shift Values>> N :: 120.52(4.2) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.8520 CB :: 62.8600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4690 HA :: 4.3580 HB2 :: 4.1150 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 :: 116.4280 Ave N Shift Values>> N :: 116.28(3.52) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.27 G 0.04 C Shift Assignments>> C :: 178.6590 CA :: 58.4320 CB :: 42.3230 CG :: 26.5970 CD1 :: 22.8930 CD2 :: 26.5970 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 :: 8.7910 HA :: 4.0840 HB2 :: 1.9940 HB3 :: 1.1050 HG :: 1.9900 HD11 :: 0.9630 HD12 :: 0.9630 HD13 :: 0.9630 HD21 :: 0.7460 HD22 :: 0.7460 HD23 :: 0.7460 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 :: 123.4520 Ave N Shift Values>> N :: 121.86(3.9) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.91 R 0.07 C Shift Assignments>> C :: 179.1790 CA :: 60.7580 CB :: 32.2920 CG :: 25.1980 CD :: 30.0520 CE :: 41.3560 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 :: 7.5820 HA :: 3.7590 HB2 :: 2.0220 HB3 :: 1.8720 HG2 :: 1.6240 HG3 :: 1.4500 HD2 :: 1.6620 HE2 :: 3.0150 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 :: 117.3430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.26 N 0.12 D 0.08 I 0.06 E 0.06 L 0.04 M 0.02 C Shift Assignments>> C :: 177.6980 CA :: 56.4970 CB :: 38.3450 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 :: 8.3730 HA :: 4.5200 HB2 :: 2.9470 HD21 :: 7.6770 HD22 :: 6.9430 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 :: 118.6120 ND2 :: 113.0250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.0540 CB :: 68.5610 CG2 :: 22.3460 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 :: 8.8140 HA :: 3.9420 HB :: 4.2220 HG21 :: 1.2000 HG22 :: 1.2000 HG23 :: 1.2000 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 :: 119.1970 Ave N Shift Values>> N :: 115.42(4.75) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q10 1.Q10 C Shift Assignments>> C :: 178.4880 CA :: 62.3550 CB :: 35.2790 CG1 :: 28.0160 CG2 :: 18.6610 CD1 :: 10.3450 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 :: 8.2040 HA :: 3.6970 HB :: 2.1540 HG12 :: 1.2950 HG13 :: 1.8160 HG21 :: 0.9440 HG22 :: 0.9440 HG23 :: 0.9440 HD11 :: 0.6740 HD12 :: 0.6740 HD13 :: 0.6740 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 :: 121.1210 Ave N Shift Values>> N :: 121.46(4.28) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7850 CA :: 61.6710 CB :: 63.0390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8410 HA :: 4.3020 HB2 :: 4.1180 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 :: 116.2130 Ave N Shift Values>> N :: 116.28(3.52) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 M 0.17 Q 0.09 K 0.08 I 0.03 HN Overlap>> 1.K47 1.K47 C Shift Assignments>> C :: 177.0580 CA :: 56.3220 CB :: 30.3770 CG :: 36.2100 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 :: 7.4380 HA :: 4.4610 HB2 :: 2.2750 HB3 :: 1.9770 HG2 :: 2.4320 HG3 :: 2.2900 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 :: 118.8840 Ave N Shift Values>> N :: 120.67(3.48) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.14 L 0.02 C Shift Assignments>> C :: 178.5460 CA :: 53.9960 CB :: 19.7230 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6850 HA :: 4.1870 HB1 :: 1.4530 HB2 :: 1.4530 HB3 :: 1.4530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0040 Ave N Shift Values>> N :: 123.23(3.54) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 175.5690 CA :: 46.9710 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1870 HA2 :: 3.9000 HA3 :: 3.7830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.2630 Ave N Shift Values>> N :: 109.67(3.87) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.23 L 0.16 F 0.13 Y 0.11 K 0.01 C Shift Assignments>> C :: 177.0390 CA :: 54.4210 CB :: 40.1200 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 :: 8.6420 HA :: 4.7020 HB2 :: 2.8140 HB3 :: 2.7440 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 :: 124.4430 Ave N Shift Values>> N :: 120.65(3.86) 1.K35 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 HN Overlap>> 1.E72 1.E72 1.D56 1.D56 C Shift Assignments>> C :: 175.9870 CA :: 58.1500 CB :: 33.5800 CG :: 25.9820 CD :: 29.3430 CE :: 42.2130 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 :: 7.8920 HA :: 4.0730 HB2 :: 1.9090 HB3 :: 1.7770 HG2 :: 1.6730 HG3 :: 1.5020 HD2 :: 1.6940 HE2 :: 3.0380 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 :: 117.7430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 A 0.35 L 0.11 C Shift Assignments>> C :: 176.0680 CA :: 52.4340 CB :: 47.8840 CG :: 26.9880 CD1 :: 23.6140 CD2 :: 26.9880 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 :: 6.9520 HA :: 4.7100 HB2 :: 1.4750 HB3 :: 1.2920 HG :: 1.4580 HD11 :: 0.9890 HD12 :: 0.9890 HD13 :: 0.9890 HD21 :: 0.7050 HD22 :: 0.7050 HD23 :: 0.7050 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 :: 113.9360 Ave N Shift Values>> N :: 121.86(3.9) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.7 M 0.15 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> C :: 178.2500 CA :: 55.9230 CB :: 30.3430 CG :: 36.8330 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3240 HA :: 4.2830 HB2 :: 2.2700 HB3 :: 1.9660 HG2 :: 2.3990 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 :: 120.8520 Ave N Shift Values>> N :: 120.67(3.48) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.32 R 0.14 M 0.03 I 0.03 E 0.03 P 0.02 C Shift Assignments>> C :: 177.4950 CA :: 59.5480 CB :: 28.3960 CG :: 33.2040 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 :: 9.0070 HA :: 3.6210 HB2 :: 2.2990 HB3 :: 2.0200 HG2 :: 2.4170 HE21 :: 8.0920 HE22 :: 7.0110 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 :: 124.3710 NE2 :: 117.0210 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 I 0.05 C Shift Assignments>> C :: 180.5160 CA :: 55.5150 CB :: 18.3240 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.9310 HA :: 4.1900 HB1 :: 1.4230 HB2 :: 1.4230 HB3 :: 1.4230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.6030 Ave N Shift Values>> N :: 123.23(3.54) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.18 L 0.18 K 0.17 D 0.14 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 177.9170 CA :: 57.0840 CB :: 41.0870 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 :: 6.8640 HA :: 4.4860 HB2 :: 2.8380 HB3 :: 2.6600 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 :: 117.6260 Ave N Shift Values>> N :: 120.65(3.86) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.32 G 0.02 HN Overlap>> 1.L73 1.L73 1.E65 1.E65 C Shift Assignments>> C :: 178.9410 CA :: 60.7530 CB :: 31.8810 CG :: 27.0170 CD :: 30.0030 CE :: 42.0890 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 :: 7.6710 HA :: 3.7720 HB2 :: 1.9930 HB3 :: 1.8040 HG2 :: 1.0850 HG3 :: 1.5530 HD2 :: 1.6720 HE2 :: 3.0070 HE3 :: 2.7900 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 :: 119.1170 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.3 D 0.11 L 0.11 I 0.07 K 0.03 N 0.02 C Shift Assignments>> C :: 178.1760 CA :: 57.4300 CB :: 40.0990 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 :: 8.8200 HA :: 4.3450 HB2 :: 2.8000 HB3 :: 2.6440 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 :: 120.0550 Ave N Shift Values>> N :: 120.65(3.86) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.0350 CB :: 68.7650 CG2 :: 21.8180 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 :: 8.0600 HA :: 3.8610 HB :: 4.3510 HG21 :: 1.1380 HG22 :: 1.1380 HG23 :: 1.1380 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 :: 117.5830 Ave N Shift Values>> N :: 115.42(4.75) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.5280 CB :: 31.7370 CG1 :: 24.4120 CG2 :: 22.6840 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 :: 7.4390 HA :: 3.4470 HB :: 2.0430 HG11 :: 1.0970 HG12 :: 1.0970 HG13 :: 1.0970 HG21 :: 0.8870 HG22 :: 0.8870 HG23 :: 0.8870 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 :: 119.1820 Ave N Shift Values>> N :: 121.14(4.54) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.1720 CA :: 68.4590 CB :: 68.4590 CG2 :: 22.2330 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 :: 8.8090 HA :: 4.2450 HB :: 3.5780 HG21 :: 1.2360 HG22 :: 1.2360 HG23 :: 1.2360 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 :: 116.8800 Ave N Shift Values>> N :: 115.42(4.75) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.22 G 0.01 C Shift Assignments>> C :: 179.2690 CA :: 59.7510 CB :: 32.0810 CG :: 25.4630 CD :: 29.3290 CE :: 42.2250 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 :: 8.6190 HA :: 4.1180 HB2 :: 1.9450 HB3 :: 1.8690 HG2 :: 1.5670 HD2 :: 1.7690 HE2 :: 3.0170 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 :: 119.9640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.42 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 180.1060 CA :: 56.9350 CB :: 31.2970 CG :: 25.2870 CD :: 28.1170 CE :: 42.0480 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 :: 7.4340 HA :: 4.3670 HB2 :: 2.0240 HB3 :: 1.9540 HG2 :: 1.4950 HD2 :: 1.6710 HE2 :: 2.8010 HE3 :: 2.7230 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 :: 118.9940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 I 0.13 A 0.12 C Shift Assignments>> C :: 179.1610 CA :: 56.5710 CB :: 17.5430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0440 HA :: 3.9540 HB1 :: 1.5490 HB2 :: 1.5490 HB3 :: 1.5490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.5440 Ave N Shift Values>> N :: 123.23(3.54) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.39 K 0.04 C Shift Assignments>> C :: 179.9640 CA :: 60.0720 CB :: 29.1340 CG :: 37.0200 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 :: 8.8610 HA :: 3.9860 HB2 :: 2.2440 HB3 :: 2.0500 HG2 :: 2.5490 HG3 :: 2.2430 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 :: 118.1870 Ave N Shift Values>> N :: 120.67(3.48) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 I 0.24 K 0.07 M 0.04 Q 0.03 C Shift Assignments>> C :: 179.5980 CA :: 59.4910 CB :: 29.9230 CG :: 36.4550 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 :: 8.6110 HA :: 4.1360 HB2 :: 2.3130 HB3 :: 2.2290 HG2 :: 2.5360 HG3 :: 2.2660 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 :: 121.3200 Ave N Shift Values>> N :: 120.67(3.48) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.3280 CA :: 68.1480 CB :: 67.9420 CG2 :: 21.9720 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 :: 8.0670 HA :: 4.5320 HB :: 3.9650 HG1 :: 5.1470 HG21 :: 1.2420 HG22 :: 1.2420 HG23 :: 1.2420 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 :: 118.2240 Ave N Shift Values>> N :: 115.42(4.75) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R11 1.A94 1.R11 1.A94 C Shift Assignments>> CA :: 65.9590 CB :: 38.1580 CG1 :: 30.4030 CG2 :: 17.6110 CD1 :: 12.3180 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 :: 8.2670 HA :: 3.6500 HB :: 1.8210 HG12 :: 0.6950 HG13 :: 1.5150 HG21 :: 0.9650 HG22 :: 0.9650 HG23 :: 0.9650 HD11 :: 0.1780 HD12 :: 0.1780 HD13 :: 0.1780 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 :: 124.1890 Ave N Shift Values>> N :: 121.46(4.28) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.5380 CA :: 61.7570 CB :: 62.7660 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3190 HA :: 4.3210 HB2 :: 4.0330 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 :: 115.1540 Ave N Shift Values>> N :: 116.28(3.52) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 179.3660 CA :: 62.5600 CB :: 28.3020 CD1 :: 127.1590 CE3 :: 119.5480 CZ2 :: 114.6390 CZ3 :: 121.3280 CH2 :: 123.5990 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.4790 HA :: 4.0880 HB2 :: 3.7230 HB3 :: 3.4380 HD1 :: 7.3220 HE1 :: 10.2130 HE3 :: 7.5180 HZ2 :: 7.2760 HZ3 :: 7.1390 HH2 :: 6.4810 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.7880 NE1 :: 131.4820 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.29 G 0.04 C Shift Assignments>> C :: 178.9560 CA :: 59.0110 CB :: 42.4290 CG :: 27.5060 CD1 :: 25.9610 CD2 :: 25.7000 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 :: 8.9610 HA :: 3.6840 HB2 :: 2.1050 HB3 :: 1.9360 HG :: 2.0360 HD11 :: 1.1060 HD12 :: 1.1060 HD13 :: 1.1060 HD21 :: 0.9980 HD22 :: 0.9980 HD23 :: 0.9980 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 :: 123.3820 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 L 0.18 K 0.17 D 0.14 I 0.03 N 0.01 R 0.01 HN Overlap>> 1.E72 1.K35 1.E72 1.K35 C Shift Assignments>> C :: 178.0860 CA :: 57.1290 CB :: 41.0440 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 :: 7.9670 HA :: 4.3930 HB2 :: 2.8490 HB3 :: 2.6970 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 :: 117.7050 Ave N Shift Values>> N :: 120.65(3.86) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9930 CA :: 58.9970 CB :: 64.7590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2590 HA :: 4.5740 HB2 :: 3.8780 HB3 :: 3.7520 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 :: 111.4850 Ave N Shift Values>> N :: 116.28(3.52) 1.N58 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.59 D 0.13 Y 0.09 F 0.08 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.8390 CA :: 53.4230 CB :: 38.2730 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 :: 7.4730 HA :: 4.8400 HB2 :: 1.8780 HB3 :: 0.7610(S) HD21 :: 6.4410 HD22 :: 6.7930 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 :: 121.7660 ND2 :: 117.2400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.6000 CA :: 65.7070 CB :: 69.1880 CG2 :: 22.3390 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 :: 7.8910 HA :: 4.0730 HB :: 4.3010 HG21 :: 1.3850 HG22 :: 1.3850 HG23 :: 1.3850 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 :: 111.4440 Ave N Shift Values>> N :: 115.42(4.75) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7540 CA :: 61.2500 CB :: 68.7330 CG2 :: 21.5630 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 :: 7.6640 HA :: 4.3460 HB :: 4.5870 HG21 :: 1.1700 HG22 :: 1.1700 HG23 :: 1.1700 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 :: 108.9880 Ave N Shift Values>> N :: 115.42(4.75) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 174.3270 CA :: 52.5670 CB :: 18.7320 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0890 HA :: 4.0960 HB1 :: 1.0080 HB2 :: 1.0080 HB3 :: 1.0080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4540 Ave N Shift Values>> N :: 123.23(3.54) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.2460 CA :: 57.6990 CB :: 66.1250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2040 HA :: 4.3330 HB2 :: 4.0790 HB3 :: 4.3420 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 :: 113.0540 Ave N Shift Values>> N :: 116.28(3.52) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.15 G 0.07 C Shift Assignments>> C :: 177.3370 CA :: 61.0090 CB :: 33.5880 CG :: 24.7530 CD :: 29.7520 CE :: 42.5960 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 :: 9.1250 HA :: 4.1500 HB2 :: 1.9910 HB3 :: 1.7950 HG2 :: 1.4970 HG3 :: 1.6530 HD2 :: 1.6750 HE3 :: 3.0340 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 :: 121.0260 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 E 0.17 K 0.01 C Shift Assignments>> C :: 178.8010 CA :: 60.8240 CB :: 28.6810 CG :: 37.4760 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 :: 8.8940 HA :: 4.0100 HB2 :: 2.0490 HB3 :: 1.9930 HG2 :: 2.5410 HG3 :: 2.3220 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 :: 115.8590 Ave N Shift Values>> N :: 120.67(3.48) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 E 0.27 M 0.02 HN Overlap>> 1.L73 1.K41 1.L73 1.K41 C Shift Assignments>> C :: 180.1460 CA :: 59.6990 CB :: 30.1270 CG :: 38.3560 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 :: 7.6080 HA :: 4.0880 HB2 :: 2.3000 HB3 :: 1.9910 HG2 :: 2.3110 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 :: 119.2090 Ave N Shift Values>> N :: 120.67(3.48) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 Y 0.37 C Shift Assignments>> CA :: 61.0010 CB :: 38.5330 CD1 :: 130.4470 CE1 :: 130.0400 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 :: 8.0000 HA :: 4.5410 HB2 :: 3.3610 HB3 :: 3.0870 HD1 :: 7.3700 HE1 :: 7.1950 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 :: 119.1590 Ave N Shift Values>> N :: 120.45(4.18) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 I 0.1 D 0.09 L 0.07 N 0.03 C Shift Assignments>> C :: 179.7300 CA :: 57.5670 CB :: 39.5160 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.0020 HA :: 4.4230 HB2 :: 2.8400 HB3 :: 2.6770 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 :: 120.7990 Ave N Shift Values>> N :: 120.65(3.86) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.32 Y 0.29 L 0.12 D 0.11 I 0.07 K 0.03 N 0.02 C Shift Assignments>> C :: 179.1420 CA :: 57.4560 CB :: 40.1830 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 :: 8.5950 HA :: 4.4780 HB2 :: 2.7660 HB3 :: 2.5920 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 :: 123.1910 Ave N Shift Values>> N :: 120.65(3.86) 1.K69 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.7 R 0.26 A 0.01 C Shift Assignments>> C :: 179.6070 CA :: 57.3820 CB :: 31.4130 CG :: 23.2220 CD :: 27.5330 CE :: 40.7320 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 :: 7.8240 HA :: 3.8550 HB2 :: 1.7410 HB3 :: 1.4020 HG2 :: 0.6670 HG3 :: -0.1110(S) HD2 :: 0.9630 HD3 :: 0.8100(S) HE2 :: 1.6100(S) HE3 :: 1.5330(S) 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 :: 121.2530 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB2 : 0.9970) (HE3 > HB2 : 0.9970) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 177.7350 CA :: 58.2110 CB :: 40.7750 CG :: 27.0930 CD1 :: 23.9260 CD2 :: 26.2470 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 :: 8.3560 HA :: 3.9920 HB2 :: 2.1740 HB3 :: 1.6810 HG :: 0.9410 HD11 :: 0.9960 HD12 :: 0.9960 HD13 :: 0.9960 HD21 :: 0.9600 HD22 :: 0.9600 HD23 :: 0.9600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5850 Ave N Shift Values>> N :: 121.86(3.9) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.22 G 0.02 C Shift Assignments>> C :: 178.0690 CA :: 59.6450 CB :: 32.0530 CG :: 25.0510 CD :: 29.9870 CE :: 42.3400 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 :: 7.8230 HA :: 4.1030 HB2 :: 2.0290 HB3 :: 1.9180 HG2 :: 1.6570 HD2 :: 1.6980 HE2 :: 3.0300 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 :: 120.9080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.18 M 0.07 K 0.06 Q 0.04 HN Overlap>> 1.K35 1.D56 1.K35 1.D56 C Shift Assignments>> C :: 178.9820 CA :: 59.2970 CB :: 30.2810 CG :: 36.4280 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 :: 7.8860 HA :: 4.0150 HB2 :: 2.0500 HB3 :: 1.9410 HG2 :: 2.4480 HG3 :: 2.0500 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 :: 117.7800 Ave N Shift Values>> N :: 120.67(3.48) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.19 G 0.02 A 0.01 HN Overlap>> 1.K41 1.E65 1.K41 1.E65 C Shift Assignments>> C :: 178.1210 CA :: 58.0860 CB :: 41.8890 CG :: 26.5310 CD1 :: 22.6110 CD2 :: 26.5310 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 :: 7.6640 HA :: 3.9440 HB2 :: 2.1780 HB3 :: 1.5740 HG :: 1.3830 HD11 :: 0.8010 HD12 :: 0.8010 HD13 :: 0.8010 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 :: 119.1660 Ave N Shift Values>> N :: 121.86(3.9) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 K 0.24 Q 0.2 I 0.2 R 0.02 C Shift Assignments>> C :: 178.0790 CA :: 59.7850 CB :: 28.6860 CG :: 35.1040 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 :: 8.8630 HA :: 3.9470 HB2 :: 2.2620 HB3 :: 2.0110 HG2 :: 2.2220 HG3 :: 2.5740 HE21 :: 7.3610 HE22 :: 6.7720 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 :: 118.3160 NE2 :: 110.5690 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.28 D 0.13 L 0.12 I 0.06 K 0.03 N 0.03 C Shift Assignments>> C :: 178.9920 CA :: 57.2590 CB :: 40.1500 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 :: 8.8680 HA :: 4.4260 HB2 :: 2.8170 HB3 :: 2.5720 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 :: 119.6670 Ave N Shift Values>> N :: 120.65(3.86) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.1940 CA :: 61.4730 CB :: 38.0730 CG1 :: 28.4560 CG2 :: 17.5040 CD1 :: 11.7020 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 :: 7.0710 HA :: 4.0330 HB :: 1.9830 HG13 :: 1.5340 HG21 :: 0.7950 HG22 :: 0.7950 HG23 :: 0.7950 HD11 :: 0.8390 HD12 :: 0.8390 HD13 :: 0.8390 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 :: 117.1720 Ave N Shift Values>> N :: 121.46(4.28) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.12 M 0.11 V 0.02 T 0.01 C Shift Assignments>> CA :: 54.6970 CB :: 20.4400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6140 HA :: 4.1400 HB1 :: 1.4250 HB2 :: 1.4250 HB3 :: 1.4250 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.5700 Ave N Shift Values>> N :: 123.23(3.54) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 M 0.16 K 0.12 Q 0.11 Y 0.08 I 0.05 V 0.04 F 0.04 R 0.01 W 0.01 C Shift Assignments>> C :: 175.6210 CA :: 58.0470 CB :: 35.4240 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 :: 9.3370 HA :: 4.5890 HB2 :: 2.8230 HB3 :: 3.1750 HD21 :: 7.6280 HD22 :: 6.7450 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 :: 118.9190 ND2 :: 110.4120 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.7230 CA :: 65.8470 CB :: 31.3120 CG :: 28.4050 CD :: 50.7920 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 :: 4.3900 HB2 :: 2.3950 HB3 :: 1.8480 HG2 :: 2.1110 HG3 :: 2.0190 HD2 :: 3.6520 HD3 :: 3.6010 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.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.3650 CA :: 64.5440 CB :: 38.5210 CG1 :: 30.2700 CG2 :: 19.2470 CD1 :: 13.6500 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 :: 6.8320 HA :: 3.6930 HB :: 1.7940 HG12 :: 1.0940 HG13 :: 1.6680 HG21 :: 0.8830 HG22 :: 0.8830 HG23 :: 0.8830 HD11 :: 0.9930 HD12 :: 0.9930 HD13 :: 0.9930 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 :: 117.9820 Ave N Shift Values>> N :: 121.46(4.28) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 A 0.18 C Shift Assignments>> C :: 179.3900 CA :: 56.4260 CB :: 29.9410 CG :: 32.3900 CE :: 17.3460 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 :: 8.6740 HA :: 4.2990 HB2 :: 2.1250 HB3 :: 2.0050 HG2 :: 2.7580 HG3 :: 2.5830 HE1 :: 1.9730 HE2 :: 1.9730 HE3 :: 1.9730 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 :: 118.2440 Ave N Shift Values>> N :: 120.09(3.57) 1.S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.7770 CB :: 62.8870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1330 HA :: 4.2140 HB2 :: 3.9340 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 :: 113.4660 Ave N Shift Values>> N :: 116.28(3.52) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 178.7020 CA :: 59.1820 CB :: 32.4240 CG :: 25.2920 CD :: 30.1090 CE :: 42.0400 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 :: 7.3690 HA :: 4.0820 HB2 :: 2.0340 HB3 :: 1.9370 HG2 :: 1.7310 HD2 :: 1.7220 HE2 :: 2.9530 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 :: 120.6720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 C Shift Assignments>> C :: 178.2480 CA :: 57.0770 CB :: 41.8200 CG :: 27.0540 CD1 :: 24.8010 CD2 :: 25.1710 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 :: 7.6740 HA :: 4.0290 HB2 :: 1.7400 HB3 :: 1.4630 HG :: 1.4230 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 HD21 :: 0.7440 HD22 :: 0.7440 HD23 :: 0.7440 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 :: 119.8410 Ave N Shift Values>> N :: 121.86(3.9) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.5670 CA :: 58.3440 CB :: 37.8170 CD1 :: 132.9310 CE1 :: 118.0260 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 :: 7.9330 HA :: 4.5770 HB2 :: 3.2340 HB3 :: 2.9800 HD1 :: 7.1010 HE1 :: 6.7710 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 :: 118.3960 Ave N Shift Values>> N :: 120.52(4.2) 1.Q86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.12 R 0.05 M 0.04 I 0.01 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 176.3110 CA :: 56.9630 CB :: 28.9970 CG :: 33.9820 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 :: 8.0170 HA :: 4.2450 HB2 :: 2.1670 HB3 :: 2.0950 HG2 :: 2.4540 HE21 :: 7.4700 HE22 :: 6.8520 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 :: 120.2330 NE2 :: 112.1190 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 178.1100 CA :: 52.8830 CB :: 19.0270 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0260 HA :: 4.3740 HB1 :: 1.5130 HB2 :: 1.5130 HB3 :: 1.5130 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5260 Ave N Shift Values>> N :: 123.23(3.54) 1.G88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.7520 CA :: 45.4580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1730 HA2 :: 4.0500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.4640 Ave N Shift Values>> N :: 109.67(3.87) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.17 R 0.05 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.1340 CA :: 44.8600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1960 HA2 :: 3.9770 HA3 :: 3.8720 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2030 Ave N Shift Values>> N :: 109.67(3.87) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 175.6680 CA :: 50.5600 CB :: 18.3900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2210 HA :: 4.6080 HB1 :: 1.3310 HB2 :: 1.3310 HB3 :: 1.3310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4340 Ave N Shift Values>> N :: 123.23(3.54) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.6850 CA :: 63.5370 CB :: 31.9610 CG :: 27.4110 CD :: 50.6020 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 :: 4.4190 HB2 :: 2.2860 HB3 :: 1.9560 HG2 :: 2.0350 HD2 :: 3.6370 HD3 :: 3.7800 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.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 174.7800 CA :: 45.3320 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4790 HA2 :: 3.9480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8700 Ave N Shift Values>> N :: 109.67(3.87) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.0400 CA :: 45.4140 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2360 HA2 :: 3.9480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8640 Ave N Shift Values>> N :: 109.67(3.87) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 HN Overlap>> 1.R11 1.R11 1.I52 1.I52 C Shift Assignments>> C :: 177.7230 CA :: 52.5860 CB :: 19.2580 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2320 HA :: 4.3090 HB1 :: 1.3680 HB2 :: 1.3680 HB3 :: 1.3680 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1610 Ave N Shift Values>> N :: 123.23(3.54) 1.A95 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 :: 178.3040 CA :: 52.6570 CB :: 19.1430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3340 HA :: 4.3170 HB1 :: 1.3940 HB2 :: 1.3940 HB3 :: 1.3940 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5250 Ave N Shift Values>> N :: 123.23(3.54) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 174.6640 CA :: 45.3970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3000 HA2 :: 3.9490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2700 Ave N Shift Values>> N :: 109.67(3.87) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> C :: 173.4120 CA :: 45.0480 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1670 HA2 :: 3.9360 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6540 Ave N Shift Values>> N :: 109.67(3.87) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.07 C Shift Assignments>> C :: 175.8400 CA :: 50.4820 CB :: 18.2840 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1850 HA :: 4.5280 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 :: 125.0450 Ave N Shift Values>> N :: 123.23(3.54) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 A 0.12 C Shift Assignments>> C :: 176.9310 CA :: 63.3560 CB :: 34.2640 CG :: 24.4100 CD :: 50.2380 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 :: 4.6020 HB2 :: 2.3080 HB3 :: 2.2290 HG2 :: 1.8620 HG3 :: 1.9640 HD2 :: 3.4840 HD3 :: 3.6270 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.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.4100 CA :: 45.4590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5170 HA2 :: 3.9470 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.7830 Ave N Shift Values>> N :: 109.67(3.87) 1.G101 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 :: 179.1300 CA :: 46.0170 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9150 HA2 :: 3.7690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.3570 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 101 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 3 C Shift Results: #Consistent: 405 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 610 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R11 HD2 = 4.1600(S), Expected = 3.12, Std = 0.2400, ChiSquare = 1.4687e-05 1.R11 SRO Rule Break>> HA > HD2 : 0.991153846153846 1.K15 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K15 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.N58 HB3 = 0.7610(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.6675e-09 1.K69 HG3 = -0.1110(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.8100e-07 1.K69 HD3 = 0.8100(S), Expected = 1.60, Std = 0.2200, ChiSquare = 3.2953e-04 1.K69 HE2 = 1.6100(S), Expected = 2.92, Std = 0.1900, ChiSquare = 5.3965e-12 1.K69 HE3 = 1.5330(S), Expected = 2.91, Std = 0.2000, ChiSquare = 5.7788e-12 1.K69 SRO Rule Break>> HE2 > HB2 : 0.997029997029997 1.K69 SRO Rule Break>> HE3 > HB2 : 0.99703557312253