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>> L 0.48 G 0.15 D 0.09 F 0.08 C 0.06 Y 0.04 K 0.04 I 0.01 C Shift Assignments>> C :: 170.3610 CA :: 43.4870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9110 HA3 :: 3.9110 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 HN Overlap>> 1.S142 1.S142 C Shift Assignments>> C :: 174.3350 CA :: 58.4270 CB :: 64.1130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6870 HA :: 4.5100 HB2 :: 3.8850 HB3 :: 3.8850 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 :: 116.0500 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 0.86 M 0.1 C 0.01 C Shift Assignments>> C :: 177.8290 CA :: 52.6780 CB :: 19.2930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5400 HA :: 4.3990 HB1 :: 1.4150 HB2 :: 1.4150 HB3 :: 1.4150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2110 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 :: 174.5900 CA :: 58.2700 CB :: 63.9300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3060 HA :: 4.4620 HB2 :: 3.8540 HB3 :: 3.8540 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 :: 115.4550 Ave N Shift Values>> N :: 116.28(3.52) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.1160 CA :: 62.3390 CB :: 32.6400 CG1 :: 20.8520 CG2 :: 20.8520 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 :: 8.1470 HA :: 4.1420 HB :: 2.0870 HG11 :: 0.9270 HG12 :: 0.9270 HG13 :: 0.9270 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 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 :: 122.1400 Ave N Shift Values>> N :: 121.14(4.54) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.45 G 0.01 C Shift Assignments>> C :: 176.1520 CA :: 56.4190 CB :: 32.9890 CG :: 24.7640 CD :: 29.0620 CE :: 42.2050 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 :: 8.3940 HA :: 4.3050 HB2 :: 1.7480 HB3 :: 1.7810 HG2 :: 1.3750 HG3 :: 1.4240 HD2 :: 1.6660 HD3 :: 1.6660 HE2 :: 2.9810 HE3 :: 2.9810 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 :: 124.9520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> C :: 174.9160 CA :: 53.1360 CB :: 38.8200 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 :: 8.4780 HA :: 4.7060 HB2 :: 2.7100 HB3 :: 2.8260 HD21 :: 7.6010 HD22 :: 6.9080 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 :: 120.3500 ND2 :: 112.8100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.28 Q 0.14 M 0.14 K 0.09 I 0.01 C Shift Assignments>> C :: 176.0930 CA :: 56.3100 CB :: 30.3770 CG :: 35.4770 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 :: 8.4320 HA :: 4.3660 HB2 :: 1.9430 HB3 :: 2.0830 HG2 :: 2.2540 HG3 :: 2.3120 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 :: 121.9460 Ave N Shift Values>> N :: 120.67(3.48) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 62.4130 CB :: 71.3000 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 :: 8.2070 HA :: 4.1450 HB :: 3.8390 HG21 :: 0.9120 HG22 :: 0.9120 HG23 :: 0.9120 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 :: 119.6400 Ave N Shift Values>> N :: 115.42(4.75) 1.V10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.6 K 0.36 A 0.02 C Shift Assignments>> C :: 175.7440 CA :: 54.6250 CB :: 34.5440 CG :: 23.9190 CD :: 28.9310 CE :: 40.4410 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 :: 5.2350 HB2 :: 1.6100 HB3 :: 1.6100 HG2 :: 1.1140 HG3 :: 1.2620 HD2 :: 1.2520 HD3 :: 1.3400 HE2 :: 2.5180 HE3 :: 2.5950 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 G 0.29 C 0.23 A 0.01 C Shift Assignments>> C :: 175.9530 CA :: 52.2810 CB :: 43.6370 CG :: 28.5440 CD1 :: 25.7600 CD2 :: 24.4340 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 :: 8.6370 HA :: 5.4170 HB2 :: 1.3350 HB3 :: 1.7350 HG :: 1.7140 HD11 :: 0.9020 HD12 :: 0.9020 HD13 :: 0.9020 HD21 :: 0.8830 HD22 :: 0.8830 HD23 :: 0.8830 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 :: 128.6390 Ave N Shift Values>> N :: 121.86(3.9) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1070 CA :: 56.1900 CB :: 64.8490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9100 HA :: 5.4380 HB2 :: 3.5670 HB3 :: 3.6970 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 :: 115.2130 Ave N Shift Values>> N :: 116.28(3.52) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 175.4520 CA :: 61.7800 CB :: 32.0640 CG1 :: 23.3880 CG2 :: 22.4020 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 :: 7.9570 HA :: 4.3280 HB :: 1.9880 HG11 :: 1.0660 HG12 :: 1.0660 HG13 :: 1.0660 HG21 :: 0.8510 HG22 :: 0.8510 HG23 :: 0.8510 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 :: 125.9190 Ave N Shift Values>> N :: 121.14(4.54) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 170.3830 CA :: 45.4040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2210 HA2 :: 3.6590 HA3 :: 4.2700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.8040 Ave N Shift Values>> N :: 109.67(3.87) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 C Shift Assignments>> C :: 174.4180 CA :: 60.5020 CB :: 72.2200 CG2 :: 21.2590 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 :: 7.8660 HA :: 5.7060 HB :: 3.9940 HG21 :: 1.1340 HG22 :: 1.1340 HG23 :: 1.1340 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 :: 110.3040 Ave N Shift Values>> N :: 115.42(4.75) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.29 C Shift Assignments>> C :: 173.1470 CA :: 59.9660 CB :: 36.3050 CG1 :: 21.5480 CG2 :: 21.5480 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 :: 8.1710 HA :: 4.7670 HB :: 2.2570 HG11 :: 0.9120 HG12 :: 0.9120 HG13 :: 0.9120 HG21 :: 0.9910 HG22 :: 0.9910 HG23 :: 0.9910 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 :: 119.8560 Ave N Shift Values>> N :: 121.14(4.54) 1.S18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.94 T 0.05 HN Overlap>> 1.N112 1.N112 C Shift Assignments>> C :: 173.3780 CA :: 56.4310 CB :: 66.2610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2560 HA :: 5.8620(S) HB2 :: 3.7350 HB3 :: 3.7350 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 :: 116.6770 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 0.87 L 0.08 C 0.03 C Shift Assignments>> C :: 170.5630 CA :: 45.6220 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5350 HA2 :: 3.6440 HA3 :: 4.2700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4450 Ave N Shift Values>> N :: 109.67(3.87) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.1 D 0.08 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> C :: 173.1260 CA :: 50.8080 CB :: 38.2170 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 :: 8.8580 HA :: 5.3490 HB2 :: 2.5140 HB3 :: 2.6740 HD21 :: 7.8960 HD22 :: 6.9030 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 :: 118.5730 ND2 :: 115.4740 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P21 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>> C :: 177.0250 CA :: 65.1080 CB :: 31.6690 CG :: 28.7300 CD :: 50.5520 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 :: 3.9930 HB2 :: 1.8600 HB3 :: 2.5830 HG2 :: 1.8280 HG3 :: 2.2440 HD2 :: 4.0590 HD3 :: 3.5300 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.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.03 F 0.01 C Shift Assignments>> C :: 174.5490 CA :: 45.2490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9300 HA2 :: 3.7430 HA3 :: 4.4440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.0570 Ave N Shift Values>> N :: 109.67(3.87) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.26 K 0.18 F 0.1 Y 0.07 C 0.05 N 0.05 C Shift Assignments>> C :: 175.6750 CA :: 54.9200 CB :: 41.6260 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 :: 8.3300 HA :: 4.7460 HB2 :: 2.6520 HB3 :: 2.9970 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.1980 Ave N Shift Values>> N :: 120.65(3.86) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.1110 CA :: 61.8150 CB :: 69.5490 CG2 :: 20.7090 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 :: 8.4820 HA :: 5.3930 HB :: 3.9970 HG21 :: 1.0110 HG22 :: 1.0110 HG23 :: 1.0110 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.5820 Ave N Shift Values>> N :: 115.42(4.75) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.08 A 0.01 C Shift Assignments>> C :: 172.8330 CA :: 58.7730 CB :: 34.8710 CG1 :: 18.6220 CG2 :: 22.4090 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 :: 9.5050 HA :: 4.8250 HB :: 2.0670 HG11 :: 0.7360 HG12 :: 0.7360 HG13 :: 0.7360 HG21 :: 0.8260 HG22 :: 0.8260 HG23 :: 0.8260 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0980 Ave N Shift Values>> N :: 121.14(4.54) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.4 A 0.02 C Shift Assignments>> C :: 175.2890 CA :: 54.6820 CB :: 34.4350 CG :: 23.9490 CD :: 28.8170 CE :: 40.5200 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 :: 8.3940 HA :: 5.2300 HB2 :: 1.6110 HB3 :: 1.6110 HG2 :: 1.1130 HG3 :: 1.2590 HD2 :: 1.3390 HD3 :: 1.3390 HE2 :: 2.5160 HE3 :: 2.5990 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 :: 124.1450 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 V 0.35 C Shift Assignments>> C :: 174.5100 CA :: 59.0290 CB :: 35.1910 CG1 :: 21.3120 CG2 :: 21.3120 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 :: 9.6070 HA :: 4.5800 HB :: 2.2300 HG11 :: 0.8650 HG12 :: 0.8650 HG13 :: 0.8650 HG21 :: 0.8650 HG22 :: 0.8650 HG23 :: 0.8650 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 :: 126.4950 Ave N Shift Values>> N :: 121.14(4.54) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 176.1880 CA :: 62.3150 CB :: 32.5790 CG :: 27.1710 CD :: 51.3120 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 :: 4.8360 HB2 :: 1.7540 HB3 :: 2.0930 HG2 :: 2.1950 HG3 :: 2.2400 HD2 :: 3.7600 HD3 :: 4.1090 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.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.8110 CA :: 61.1890 CB :: 33.3650 CG1 :: 20.8100 CG2 :: 20.8100 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 :: 8.5770 HA :: 4.8660 HB :: 1.8100 HG11 :: 0.8030 HG12 :: 0.8030 HG13 :: 0.8030 HG21 :: 0.8030 HG22 :: 0.8030 HG23 :: 0.8030 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 :: 122.3450 Ave N Shift Values>> N :: 121.14(4.54) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 172.6910 CA :: 61.5120 CB :: 71.1030 CG2 :: 21.1170 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 :: 9.3400 HA :: 4.8500 HB :: 3.9910 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 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 :: 121.2070 Ave N Shift Values>> N :: 115.42(4.75) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 I 0.1 G 0.06 C Shift Assignments>> C :: 172.8970 CA :: 58.9520 CB :: 42.9050 CG1 :: 29.0170 CG2 :: 15.2370 CD1 :: 14.0570 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 :: 9.3560 HA :: 5.4880 HB :: 1.4410 HG12 :: 0.9590 HG13 :: 0.9590 HG21 :: 0.9400 HG22 :: 0.9400 HG23 :: 0.9400 HD11 :: 0.7640 HD12 :: 0.7640 HD13 :: 0.7640 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 :: 124.6800 Ave N Shift Values>> N :: 121.46(4.28) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 172.3300 CA :: 56.4570 CB :: 66.8130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1510 HA :: 4.7620 HB2 :: 3.7440 HB3 :: 3.8000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.0300 Ave N Shift Values>> N :: 116.28(3.52) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 Q 0.05 E 0.03 I 0.03 C Shift Assignments>> C :: 175.0750 CA :: 56.8440 CB :: 25.3900 CG :: 35.3680 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 :: 9.0920 HA :: 3.7980 HB2 :: 2.6950 HB3 :: 2.2160 HG2 :: 2.2970 HG3 :: 2.2970 HE21 :: 7.9320 HE22 :: 7.0360 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 :: 113.8290 NE2 :: 112.9800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.4640 CA :: 63.8930 CB :: 31.4410 CG1 :: 23.1540 CG2 :: 21.2610 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 :: 8.8520 HA :: 3.7010 HB :: 1.7000 HG11 :: 0.6500 HG12 :: 0.6500 HG13 :: 0.6500 HG21 :: 0.5950 HG22 :: 0.5950 HG23 :: 0.5950 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 :: 119.7470 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 :: 173.8720 CA :: 58.3340 CB :: 64.0010 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3020 HA :: 4.4590 HB2 :: 3.8420 HB3 :: 3.8110 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 :: 124.1260 Ave N Shift Values>> N :: 116.28(3.52) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.69 C 0.25 T 0.05 C Shift Assignments>> CA :: 61.6570 CB :: 64.7200 CG2 :: 21.4440 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 :: 8.5440 HA :: 4.4520 HB :: 3.9960 HG21 :: 1.1520 HG22 :: 1.1520 HG23 :: 1.1520 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 :: 123.4000 Ave N Shift Values>> N :: 115.42(4.75) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 176.3690 CA :: 64.2000 CB :: 32.3490 CG :: 27.1560 CD :: 51.4710 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 :: 4.2330 HB2 :: 1.7480 HB3 :: 2.0990 HG2 :: 2.2100 HG3 :: 2.2100 HD2 :: 3.7650 HD3 :: 4.1310 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.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 175.9840 CA :: 63.3530 CB :: 34.2840 CG1 :: 21.6910 CG2 :: 23.0560 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 :: 8.7250 HA :: 3.8840 HB :: 2.2300 HG11 :: 1.0140 HG12 :: 1.0140 HG13 :: 1.0140 HG21 :: 1.1050 HG22 :: 1.1050 HG23 :: 1.1050 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 :: 126.5350 Ave N Shift Values>> N :: 121.14(4.54) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.13 C 0.03 F 0.01 C Shift Assignments>> C :: 172.0590 CA :: 45.0800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1690 HA2 :: 3.3110 HA3 :: 4.5460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.1360 Ave N Shift Values>> N :: 109.67(3.87) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 C 0.26 L 0.26 C Shift Assignments>> C :: 175.2070 CA :: 55.0940 CB :: 45.7180 CG :: 27.6340 CD1 :: 26.0500 CD2 :: 24.4340 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 :: 7.7900 HA :: 5.4000 HB2 :: 1.5850 HB3 :: 1.6590 HG :: 1.4760 HD11 :: 0.7800 HD12 :: 0.7800 HD13 :: 0.7800 HD21 :: 0.9170 HD22 :: 0.9170 HD23 :: 0.9170 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 :: 123.5670 Ave N Shift Values>> N :: 121.86(3.9) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 G 0.35 I 0.05 C Shift Assignments>> C :: 175.2770 CA :: 60.6580 CB :: 44.1980 CG1 :: 28.6850 CG2 :: 16.9030 CD1 :: 16.0250 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 :: 9.6670 HA :: 5.1950 HB :: 1.7340 HG12 :: 1.1480 HG13 :: 1.8670 HG21 :: 0.8250 HG22 :: 0.8250 HG23 :: 0.8250 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 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 :: 125.0460 Ave N Shift Values>> N :: 121.46(4.28) 1.C42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.24 Q 0.2 K 0.12 M 0.1 I 0.02 V 0.02 C Shift Assignments>> C :: 173.0900 CA :: 57.4610 CB :: 30.2660 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.5160 HA :: 5.4290 HB2 :: 2.7240 HB3 :: 3.1280 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 :: 125.1340 Ave N Shift Values>> N :: 120.17(4.64) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 A 0.33 C Shift Assignments>> C :: 172.4130 CA :: 54.6250 CB :: 37.7480 CG :: 30.9310 CE :: 21.6390 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 :: 8.8000 HA :: 4.9850 HB2 :: 1.7580 HB3 :: 1.7580 HG2 :: 2.2190 HG3 :: 2.2190 HE1 :: 0.8710 HE2 :: 0.8710 HE3 :: 0.8710 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 :: 119.4400 Ave N Shift Values>> N :: 120.09(3.57) 1.D44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.58 L 0.27 D 0.07 C 0.04 F 0.01 C Shift Assignments>> C :: 175.2420 CA :: 52.9270 CB :: 44.4450 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 :: 9.7060 HA :: 5.8180(S) HB2 :: 2.4740 HB3 :: 2.5830 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 :: 123.9840 Ave N Shift Values>> N :: 120.65(3.86) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.3 C Shift Assignments>> C :: 175.6420 CA :: 59.4050 CB :: 41.9600 CG1 :: 28.7850 CG2 :: 17.5010 CD1 :: 15.6130 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 :: 9.5620 HA :: 5.0080 HB :: 1.6910 HG12 :: 0.8400 HG13 :: 1.5410 HG21 :: 0.8090 HG22 :: 0.8090 HG23 :: 0.8090 HD11 :: 0.8420 HD12 :: 0.8420 HD13 :: 0.8420 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 :: 123.0060 Ave N Shift Values>> N :: 121.46(4.28) 1.S46 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>> C :: 172.6850 CA :: 57.2530 CB :: 65.4080 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.4900 HA :: 5.6570 HB2 :: 3.8810 HB3 :: 3.8810 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 :: 124.1100 Ave N Shift Values>> N :: 116.28(3.52) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.22 G 0.04 C Shift Assignments>> C :: 173.2580 CA :: 54.6670 CB :: 42.4360 CD1 :: 133.2800 CD2 :: 133.2800 CE1 :: 118.5300 CE2 :: 118.5300 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 :: 8.2700 HA :: 4.9910 HB2 :: 2.6250 HB3 :: 2.6250 HD1 :: 7.0830 HD2 :: 7.0830 HE1 :: 6.9040 HE2 :: 6.9040 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 :: 117.5350 Ave N Shift Values>> N :: 120.52(4.2) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 176.7390 CA :: 53.1900 CB :: 39.7100 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 :: 9.4890 HA :: 4.5830 HB2 :: 2.6970 HB3 :: 3.0010 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 :: 118.7610 Ave N Shift Values>> N :: 120.65(3.86) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.29 C 0.01 C Shift Assignments>> C :: 178.1170 CA :: 53.2340 CB :: 18.0050 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7270 HA :: 4.9660 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 :: 131.5220 Ave N Shift Values>> N :: 123.23(3.54) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5060 CA :: 60.2510 CB :: 63.2510 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7350 HA :: 4.3770 HB2 :: 3.8760 HB3 :: 3.9460 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 :: 113.8280 Ave N Shift Values>> N :: 116.28(3.52) 1.K51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.67 K 0.3 G 0.01 C Shift Assignments>> C :: 173.9820 CA :: 57.9490 CB :: 35.4460 CG :: 26.4000 CD :: 29.7750 CE :: 42.3520 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 :: 7.1300 HA :: 4.0320 HB2 :: 0.5590(S) HB3 :: 0.5590(S) HG2 :: 0.8880 HG3 :: 1.1170 HD2 :: 1.2690 HD3 :: 1.4450 HE2 :: 2.8290 HE3 :: 2.8290 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 :: 121.1560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 G 0.21 C 0.14 C Shift Assignments>> C :: 174.6860 CA :: 54.6250 CB :: 43.4430 CD1 :: 131.0300 CD2 :: 131.0300 CE1 :: 131.0300 CE2 :: 131.0300 CZ :: 128.0300 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 :: 7.6490 HA :: 5.6690 HB2 :: 2.5290 HB3 :: 2.9000 HD1 :: 6.5450 HD2 :: 6.5450 HE1 :: 6.1040 HE2 :: 6.1040 HZ :: 6.3650 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 :: 115.4610 Ave N Shift Values>> N :: 120.45(4.18) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 HN Overlap>> 1.Y104 1.Y104 C Shift Assignments>> C :: 174.4770 CA :: 60.7860 CB :: 71.9720 CG2 :: 22.0750 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 :: 8.9140 HA :: 4.9220 HB :: 4.0090 HG21 :: 1.0210 HG22 :: 1.0210 HG23 :: 1.0210 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.5980 Ave N Shift Values>> N :: 115.42(4.75) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 174.6570 CA :: 63.5600 CB :: 32.0760 CG1 :: 22.6740 CG2 :: 20.6880 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 :: 9.0850 HA :: 3.6190 HB :: 1.8530 HG11 :: 0.5000 HG12 :: 0.5000 HG13 :: 0.5000 HG21 :: 0.6260 HG22 :: 0.6260 HG23 :: 0.6260 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 :: 127.1280 Ave N Shift Values>> N :: 121.14(4.54) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 176.0680 CA :: 57.4380 CB :: 33.9980 CG :: 24.8150 CD :: 29.7140 CE :: 42.1110 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 :: 9.1730 HA :: 4.3000 HB2 :: 1.4770 HB3 :: 1.4770 HG2 :: 1.2910 HG3 :: 1.2910 HD2 :: 1.4560 HD3 :: 1.5890 HE2 :: 2.9320 HE3 :: 2.9320 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 :: 131.1490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.31 K 0.13 N 0.06 F 0.05 C 0.05 Y 0.03 G 0.01 C Shift Assignments>> C :: 172.8900 CA :: 53.4000 CB :: 42.1910 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 :: 7.7670 HA :: 4.4820 HB2 :: 2.6210 HB3 :: 2.9830 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 :: 112.1690 Ave N Shift Values>> N :: 120.65(3.86) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.5800 CA :: 62.2160 CB :: 33.9720 CG1 :: 20.9860 CG2 :: 20.9860 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 :: 8.1230 HA :: 4.7480 HB :: 2.0460 HG11 :: 0.7390 HG12 :: 0.7390 HG13 :: 0.7390 HG21 :: 0.7960 HG22 :: 0.7960 HG23 :: 0.7960 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 :: 117.6000 Ave N Shift Values>> N :: 121.14(4.54) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.24 A 0.07 C 0.06 C Shift Assignments>> CA :: 50.8670 CB :: 44.2870 CG :: 25.9390 CD1 :: 25.9390 CD2 :: 22.9210 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 :: 8.8110 HA :: 5.1360 HB2 :: 1.5450 HB3 :: 1.6400 HG :: 1.6390 HD11 :: 0.7980 HD12 :: 0.7980 HD13 :: 0.7980 HD21 :: 0.8860 HD22 :: 0.8860 HD23 :: 0.8860 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 :: 126.6510 Ave N Shift Values>> N :: 121.86(3.9) 1.P59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.71 P 0.28 C Shift Assignments>> C :: 175.8770 CA :: 61.5330 CB :: 29.9940 CG :: 25.8550 CD :: 49.8110 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 :: 4.0350 HB2 :: 0.1160(S) HB3 :: 0.9290 HG2 :: 1.7180 HG3 :: 1.8540 HD2 :: 3.6520 HD3 :: 3.8420 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.N60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.66 C 0.16 D 0.03 M 0.03 Y 0.03 F 0.02 E 0.02 C Shift Assignments>> C :: 177.2390 CA :: 51.3620 CB :: 37.1590 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 :: 7.5830 HA :: 4.9580 HB2 :: 2.0840 HB3 :: 3.2400 HD21 :: 7.3520 HD22 :: 8.8220(S) 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 :: 117.0100 ND2 :: 114.0620 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.I146 1.I146 C Shift Assignments>> C :: 174.7130 CA :: 64.0010 CB :: 67.8790 CG2 :: 21.7890 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 :: 8.5810 HA :: 4.5590 HB :: 4.5730 HG21 :: 1.1950 HG22 :: 1.1950 HG23 :: 1.1950 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 :: 119.5640 Ave N Shift Values>> N :: 115.42(4.75) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 D 0.17 L 0.13 C 0.11 N 0.06 I 0.03 K 0.02 C Shift Assignments>> C :: 175.8710 CA :: 56.4480 CB :: 40.0420 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 :: 7.6030 HA :: 4.4550 HB2 :: 2.6990 HB3 :: 2.6540 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 :: 119.5580 Ave N Shift Values>> N :: 120.65(3.86) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.42 L 0.1 C Shift Assignments>> C :: 175.7860 CA :: 56.5000 CB :: 45.9050 CG :: 28.9830 CD1 :: 24.9090 CD2 :: 23.6680 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 :: 7.0650 HA :: 4.3610 HB2 :: 1.6140 HB3 :: 1.3250 HG :: 1.4630 HD11 :: 0.5470 HD12 :: 0.5470 HD13 :: 0.5470 HD21 :: 0.7100 HD22 :: 0.7100 HD23 :: 0.7100 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 :: 119.4670 Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.0420 CA :: 62.0920 CB :: 31.1850 CG1 :: 21.5200 CG2 :: 21.5200 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 :: 8.3630 HA :: 3.6260 HB :: 1.5910 HG11 :: 0.8280 HG12 :: 0.8280 HG13 :: 0.8280 HG21 :: 0.7440 HG22 :: 0.7440 HG23 :: 0.7440 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.2190 Ave N Shift Values>> N :: 121.14(4.54) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 C 0.37 G 0.04 C Shift Assignments>> C :: 176.9190 CA :: 53.4950 CB :: 33.7000 CG :: 24.6860 CD :: 28.1470 CE :: 42.6660 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 :: 8.5930 HA :: 4.5380 HB2 :: 1.7540 HB3 :: 1.8130 HG2 :: 1.3800 HG3 :: 1.4810 HD2 :: 1.6800 HD3 :: 1.5820 HE2 :: 2.8870 HE3 :: 2.9940 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 :: 124.5930 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.49 C 0.12 D 0.11 Y 0.09 F 0.08 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.S118 1.S118 C Shift Assignments>> C :: 177.5850 CA :: 53.6880 CB :: 38.1910 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 :: 8.8360 HA :: 4.3530 HB2 :: 1.2020(S) HB3 :: 3.0250 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 :: 117.1210 Ave N Shift Values>> N :: 120.65(3.86) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 178.0530 CA :: 64.4700 CB :: 68.6900 CG2 :: 22.7240 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 :: 7.9930 HA :: 4.3210 HB :: 4.3960 HG21 :: 1.0470 HG22 :: 1.0470 HG23 :: 1.0470 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 :: 109.2570 Ave N Shift Values>> N :: 115.42(4.75) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.18 Y 0.18 N 0.17 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 175.7220 CA :: 55.4560 CB :: 39.4480 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 :: 9.0090 HA :: 4.3900 HB2 :: 2.5460 HB3 :: 2.6510 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7600 Ave N Shift Values>> N :: 120.65(3.86) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.16 C 0.08 F 0.05 Y 0.05 L 0.04 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 173.9540 CA :: 52.6550 CB :: 38.7310 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 :: 7.5150 HA :: 4.7470 HB2 :: 2.2430 HB3 :: 2.8940 HD21 :: 7.4950 HD22 :: 6.9080 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 :: 116.8890 ND2 :: 114.6170 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 Y 0.14 C Shift Assignments>> C :: 174.9710 CA :: 59.3930 CB :: 33.9980 CD1 :: 133.2800 CE1 :: 118.2790 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 :: 7.2620 HA :: 4.3540 HB2 :: 3.1650 HB3 :: 3.1650 HD1 :: 7.0630 HE1 :: 6.9110 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 :: 110.2360 Ave N Shift Values>> N :: 120.52(4.2) 1.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5990 CA :: 58.6000 CB :: 64.9400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.1230 HA :: 4.7540 HB2 :: 3.6640 HB3 :: 3.6640 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 :: 111.5580 Ave N Shift Values>> N :: 116.28(3.52) 1.F72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 F 0.44 G 0.02 C Shift Assignments>> C :: 173.8940 CA :: 57.6000 CB :: 41.9520 CD1 :: 132.1550 CD2 :: 132.1550 CE1 :: 130.8500 CE2 :: 130.8500 CZ :: 132.9050 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 :: 8.1560 HA :: 5.4930 HB2 :: 2.7000 HB3 :: 3.2450 HD1 :: 7.2760 HD2 :: 7.2760 HE1 :: 6.8910 HE2 :: 6.8910 HZ :: 7.0630 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 :: 122.6810 Ave N Shift Values>> N :: 120.45(4.18) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 174.6230 CA :: 59.9980 CB :: 40.5610 CG1 :: 26.8040 CG2 :: 17.5720 CD1 :: 13.0580 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 :: 8.9020 HA :: 4.3530 HB :: 1.6650 HG12 :: 1.0750 HG13 :: 1.3930 HG21 :: 0.4120 HG22 :: 0.4120 HG23 :: 0.4120 HD11 :: 0.8480 HD12 :: 0.8480 HD13 :: 0.8480 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 :: 129.0570 Ave N Shift Values>> N :: 121.46(4.28) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.42 C Shift Assignments>> C :: 175.0620 CA :: 59.5880 CB :: 34.6010 CG1 :: 21.9440 CG2 :: 21.9440 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 :: 8.6570 HA :: 4.8820 HB :: 1.9160 HG11 :: 0.8220 HG12 :: 0.8220 HG13 :: 0.8220 HG21 :: 0.7530 HG22 :: 0.7530 HG23 :: 0.7530 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 :: 126.0190 Ave N Shift Values>> N :: 121.14(4.54) 1.N75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.16 F 0.05 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 176.5520 CA :: 52.4780 CB :: 40.7950 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 :: 9.1200 HA :: 5.2630 HB2 :: 2.7290 HB3 :: 3.0270 HD21 :: 7.7860 HD22 :: 7.0880 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 :: 125.0240 ND2 :: 113.5050 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> C :: 175.6210 CA :: 60.6840 CB :: 68.2190 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 :: 9.3830 HA :: 4.9110 HB :: 4.7850 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 :: 118.4280 Ave N Shift Values>> N :: 115.42(4.75) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.9820 CA :: 61.5860 CB :: 63.7710 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4480 HA :: 4.2740 HB2 :: 4.0700 HB3 :: 4.0700 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 :: 118.9540 Ave N Shift Values>> N :: 116.28(3.52) 1.T78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 171.8810 CA :: 60.3230 CB :: 69.5240 CG2 :: 20.1930 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 :: 8.9570 HA :: 4.6960 HB :: 4.1300 HG21 :: 1.1540 HG22 :: 1.1540 HG23 :: 1.1540 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 :: 122.1890 Ave N Shift Values>> N :: 115.42(4.75) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.21 C Shift Assignments>> C :: 178.0200 CA :: 63.8610 CB :: 31.7410 CG :: 27.7060 CD :: 51.2320 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 :: 4.3410 HB2 :: 1.8720 HB3 :: 2.3900 HG2 :: 2.1750 HG3 :: 2.1750 HD2 :: 3.7670 HD3 :: 4.2440 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.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.03 F 0.01 C Shift Assignments>> C :: 173.1590 CA :: 45.2490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3990 HA2 :: 4.1350 HA3 :: 3.9920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0780 Ave N Shift Values>> N :: 109.67(3.87) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.48 C Shift Assignments>> C :: 176.0020 CA :: 55.6120 CB :: 35.8640 CG :: 24.7930 CD :: 29.3220 CE :: 41.6200 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 :: 8.1290 HA :: 5.2770 HB2 :: 1.6150 HB3 :: 1.6530 HG2 :: 1.1900 HG3 :: 1.2950 HD2 :: 1.5700 HD3 :: 1.5700 HE2 :: 2.8070 HE3 :: 2.8070 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 :: 121.0120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.46 C Shift Assignments>> C :: 174.7740 CA :: 60.6700 CB :: 41.7570 CG1 :: 27.9030 CG2 :: 17.7810 CD1 :: 15.5850 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 :: 9.7800 HA :: 4.5500 HB :: 1.8990 HG12 :: 0.9670 HG13 :: 0.9670 HG21 :: 0.7880 HG22 :: 0.7880 HG23 :: 0.7880 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 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 :: 129.1830 Ave N Shift Values>> N :: 121.46(4.28) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T85 1.T85 C Shift Assignments>> C :: 173.8720 CA :: 57.4740 CB :: 64.6380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5650 HA :: 5.7510 HB2 :: 3.7050 HB3 :: 4.0260 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 :: 123.0990 Ave N Shift Values>> N :: 116.28(3.52) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 G 0.01 C Shift Assignments>> C :: 174.6560 CA :: 61.0750 CB :: 42.0050 CG1 :: 28.0530 CG2 :: 17.0640 CD1 :: 13.7470 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 :: 9.2410 HA :: 4.3730 HB :: 1.4640 HG12 :: 0.6790 HG13 :: 0.6790 HG21 :: 0.4080 HG22 :: 0.4080 HG23 :: 0.4080 HD11 :: 0.6760 HD12 :: 0.6760 HD13 :: 0.6760 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 :: 126.6520 Ave N Shift Values>> N :: 121.46(4.28) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 173.6570 CA :: 61.5000 CB :: 71.7550 CG2 :: 20.7260 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 :: 8.6250 HA :: 5.4260 HB :: 3.8740 HG21 :: 1.0710 HG22 :: 1.0710 HG23 :: 1.0710 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 :: 123.1290 Ave N Shift Values>> N :: 115.42(4.75) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.19 G 0.01 C Shift Assignments>> C :: 174.3670 CA :: 55.0110 CB :: 41.9670 CD1 :: 132.2600 CD2 :: 132.2600 CE1 :: 130.8940 CE2 :: 130.8940 CZ :: 128.1530 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 :: 9.8110 HA :: 6.0050 HB2 :: 2.8060 HB3 :: 3.0360 HD1 :: 7.2720 HD2 :: 7.2720 HE1 :: 6.8910 HE2 :: 6.8910 HZ :: 6.6450 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 :: 128.0170 Ave N Shift Values>> N :: 120.45(4.18) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 C 0.46 A 0.04 C Shift Assignments>> C :: 171.0990 CA :: 59.2600 CB :: 71.6740 CG2 :: 19.4430 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 :: 8.7970 HA :: 4.4350 HB :: 3.7420 HG21 :: 0.9720 HG22 :: 0.9720 HG23 :: 0.9720 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 :: 124.0740 Ave N Shift Values>> N :: 115.42(4.75) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.32 L 0.09 C 0.07 F 0.03 Y 0.02 C Shift Assignments>> C :: 176.8340 CA :: 50.3590 CB :: 40.4900 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 :: 7.3990 HA :: 4.8460 HB2 :: 2.6980 HB3 :: 3.3780 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 :: 122.1510 Ave N Shift Values>> N :: 120.65(3.86) 1.P89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.22 C Shift Assignments>> C :: 177.9460 CA :: 64.0320 CB :: 32.6860 CG :: 27.6780 CD :: 51.2770 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 :: 4.4260 HB2 :: 1.9350 HB3 :: 2.5040 HG2 :: 1.7770 HG3 :: 1.7770 HD2 :: 3.7670 HD3 :: 4.1180 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.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 C Shift Assignments>> C :: 174.5060 CA :: 61.6740 CB :: 71.5920 CG2 :: 22.8850 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 :: 8.2740 HA :: 4.3820 HB :: 4.4460 HG21 :: 1.4960 HG22 :: 1.4960 HG23 :: 1.4960 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 :: 106.7450 Ave N Shift Values>> N :: 115.42(4.75) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 A 0.01 C Shift Assignments>> C :: 175.7770 CA :: 56.3770 CB :: 39.2780 CG :: 26.9890 CD1 :: 25.6520 CD2 :: 23.1570 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 :: 7.7850 HA :: 4.1430 HB2 :: 1.7440 HB3 :: 1.8780 HG :: 1.5390 HD11 :: 0.8970 HD12 :: 0.8970 HD13 :: 0.8970 HD21 :: 0.9240 HD22 :: 0.9240 HD23 :: 0.9240 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 :: 117.6830 Ave N Shift Values>> N :: 121.86(3.9) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.19 A 0.12 V 0.08 T 0.06 K 0.02 M 0.01 C Shift Assignments>> C :: 177.1480 CA :: 56.0320 CB :: 21.8090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5550 HA :: 4.0590 HB1 :: 1.2620 HB2 :: 1.2620 HB3 :: 1.2620 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.6620 Ave N Shift Values>> N :: 123.23(3.54) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.21 D 0.18 Y 0.17 F 0.17 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 175.2260 CA :: 55.2810 CB :: 39.1560 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 :: 8.5730 HA :: 4.3840 HB2 :: 2.0810 HB3 :: 2.1920 HD21 :: 6.9770 HD22 :: 6.9030 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 :: 115.8700 ND2 :: 110.7700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.48 C Shift Assignments>> CA :: 55.2280 CB :: 38.7990 CD1 :: 134.4060 CD2 :: 134.4060 CE1 :: 117.5850 CE2 :: 117.5850 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 :: 9.1470 HA :: 5.1570 HB2 :: 2.8160 HB3 :: 3.2830 HD1 :: 7.1810 HD2 :: 7.1810 HE1 :: 6.7920 HE2 :: 6.7920 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 :: 120.3910 Ave N Shift Values>> N :: 120.52(4.2) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 178.4220 CA :: 63.1440 CB :: 32.1220 CG :: 27.4570 CD :: 50.5710 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 :: 4.9690 HB2 :: 2.0030 HB3 :: 2.3520 HG2 :: 2.0530 HG3 :: 2.0530 HD2 :: 3.6940 HD3 :: 3.8410 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.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 175.0990 CA :: 62.1260 CB :: 38.6860 CG1 :: 27.7750 CG2 :: 17.5400 CD1 :: 13.3090 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 :: 8.8260 HA :: 4.1620 HB :: 1.4870 HG12 :: 0.6280 HG13 :: 1.1450 HG21 :: 0.8940 HG22 :: 0.8940 HG23 :: 0.8940 HD11 :: -0.0880 HD12 :: -0.0880 HD13 :: -0.0880 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 :: 120.1090 Ave N Shift Values>> N :: 121.46(4.28) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.1210 CA :: 57.9170 CB :: 64.9390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0320 HA :: 4.6240 HB2 :: 3.6370 HB3 :: 3.9000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.0440 Ave N Shift Values>> N :: 116.28(3.52) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 V 0.05 A 0.01 C Shift Assignments>> C :: 171.4290 CA :: 58.8530 CB :: 35.7620 CG1 :: 18.4330 CG2 :: 21.4500 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 :: 7.2970 HA :: 4.5220 HB :: 2.1660 HG11 :: 0.7680 HG12 :: 0.7680 HG13 :: 0.7680 HG21 :: 0.8610 HG22 :: 0.8610 HG23 :: 0.8610 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 :: 116.2100 Ave N Shift Values>> N :: 121.14(4.54) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.19 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.04 HN Overlap>> 1.N69 1.N69 C Shift Assignments>> C :: 177.2190 CA :: 53.6160 CB :: 40.7450 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 :: 7.4410 HA :: 4.4360 HB2 :: 2.8110 HB3 :: 2.5790 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 :: 116.9220 Ave N Shift Values>> N :: 120.65(3.86) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 171.3760 CA :: 45.7180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5280 HA2 :: 3.9350 HA3 :: 4.1500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.0340 Ave N Shift Values>> N :: 109.67(3.87) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.D131 1.D131 C Shift Assignments>> C :: 174.8950 CA :: 62.1910 CB :: 39.1550 CG1 :: 28.8530 CG2 :: 17.3950 CD1 :: 13.6240 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 :: 8.6210 HA :: 3.9060 HB :: 1.4940 HG12 :: 1.6310 HG13 :: 0.8590 HG21 :: 0.2430 HG22 :: 0.2430 HG23 :: 0.2430 HD11 :: -0.0770 HD12 :: -0.0770 HD13 :: -0.0770 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 :: 120.9280 Ave N Shift Values>> N :: 121.46(4.28) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.35 L 0.17 C Shift Assignments>> C :: 175.9930 CA :: 56.3160 CB :: 44.7800 CG :: 24.8630 CD1 :: 24.8630 CD2 :: 26.3520 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 :: 9.3360 HA :: 4.1630 HB2 :: 1.1580 HB3 :: 1.3730 HG :: 1.4500 HD11 :: 0.6330 HD12 :: 0.6330 HD13 :: 0.6330 HD21 :: 0.6950 HD22 :: 0.6950 HD23 :: 0.6950 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 :: 128.0610 Ave N Shift Values>> N :: 121.86(3.9) 1.A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.36 C 0.18 K 0.02 C Shift Assignments>> C :: 173.2850 CA :: 50.0580 CB :: 22.9360 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4140 HA :: 4.7250 HB1 :: 1.0710 HB2 :: 1.0710 HB3 :: 1.0710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.0280 Ave N Shift Values>> N :: 123.23(3.54) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 HN Overlap>> 1.T53 1.T53 C Shift Assignments>> C :: 174.3070 CA :: 56.5720 CB :: 41.1590 CD1 :: 133.2800 CD2 :: 133.2800 CE1 :: 117.5290 CE2 :: 117.5290 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 :: 8.9500 HA :: 4.8810 HB2 :: 2.5430 HB3 :: 2.5430 HD1 :: 6.7330 HD2 :: 6.7330 HE1 :: 6.6730 HE2 :: 6.6730 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 :: 115.5620 Ave N Shift Values>> N :: 120.52(4.2) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 C 0.16 A 0.01 G 0.01 C Shift Assignments>> C :: 174.8180 CA :: 52.7800 CB :: 41.9670 CG :: 26.7110 CD1 :: 24.4370 CD2 :: 25.3410 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 :: 9.3320 HA :: 4.4810 HB2 :: 0.8260 HB3 :: 0.8260 HG :: 1.8270 HD11 :: 0.6990 HD12 :: 0.6990 HD13 :: 0.6990 HD21 :: 0.8110 HD22 :: 0.8110 HD23 :: 0.8110 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 :: 121.5370 Ave N Shift Values>> N :: 121.86(3.9) 1.D106 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.43 D 0.27 L 0.08 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.6120 CA :: 52.7150 CB :: 39.7100 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 :: 8.3420 HA :: 5.8870(S) HB2 :: 2.1680 HB3 :: 2.8810 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 :: 123.0350 Ave N Shift Values>> N :: 120.65(3.86) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.18 G 0.1 C Shift Assignments>> C :: 174.6070 CA :: 56.4740 CB :: 43.1900 CD1 :: 131.0300 CD2 :: 131.0300 CE1 :: 130.8120 CE2 :: 130.8120 CZ :: 128.0700 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 :: 9.1870 HA :: 5.2000 HB2 :: 2.4370 HB3 :: 2.5990 HD1 :: 6.5440 HD2 :: 6.5440 HE1 :: 6.0940 HE2 :: 6.0940 HZ :: 6.3670 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 :: 121.7340 Ave N Shift Values>> N :: 120.45(4.18) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 176.9990 CA :: 60.8220 CB :: 40.3260 CG1 :: 28.0340 CG2 :: 17.5830 CD1 :: 14.0150 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 :: 9.4740 HA :: 4.6550 HB :: 1.6830 HG12 :: 1.1440 HG13 :: 1.4860 HG21 :: 0.7920 HG22 :: 0.7920 HG23 :: 0.7920 HD11 :: 0.8250 HD12 :: 0.8250 HD13 :: 0.8250 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 :: 120.9880 Ave N Shift Values>> N :: 121.46(4.28) 1.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.4620 CA :: 62.1970 CB :: 36.6260 CG1 :: 26.8840 CG2 :: 18.1460 CD1 :: 13.1560 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 :: 9.2100 HA :: 4.4870 HB :: 2.2030 HG12 :: 1.9430 HG13 :: 1.9430 HG21 :: 1.0780 HG22 :: 1.0780 HG23 :: 1.0780 HD11 :: 0.7380 HD12 :: 0.7380 HD13 :: 0.7380 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 :: 128.7760 Ave N Shift Values>> N :: 121.46(4.28) 1.N110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.15 Y 0.12 F 0.1 D 0.1 E 0.04 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.4310 CA :: 54.3660 CB :: 38.0750 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 :: 9.1240 HA :: 4.4100 HB2 :: 2.6660 HB3 :: 2.8580 HD21 :: 6.9490 HD22 :: 6.6760 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 :: 130.5640 ND2 :: 110.6520 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9740 CA :: 62.4690 CB :: 62.6800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8680 HA :: 3.8860 HB2 :: 3.6320 HB3 :: 3.6320 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 :: 118.8010 Ave N Shift Values>> N :: 116.28(3.52) 1.N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 C 0.1 D 0.09 Y 0.04 F 0.03 L 0.01 M 0.01 HN Overlap>> 1.S18 1.S18 C Shift Assignments>> C :: 175.3890 CA :: 51.8600 CB :: 38.1560 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 :: 8.3390 HA :: 4.7760 HB2 :: 2.7420 HB3 :: 2.9280 HD21 :: 7.5430 HD22 :: 6.9110 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 :: 116.6790 ND2 :: 112.2240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.1 C 0.03 L 0.01 C Shift Assignments>> C :: 177.0320 CA :: 53.3300 CB :: 19.6770 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5180 HA :: 4.1880 HB1 :: 1.3150 HB2 :: 1.3150 HB3 :: 1.3150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0940 Ave N Shift Values>> N :: 123.23(3.54) 1.T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.0170 CA :: 60.8460 CB :: 69.9880 CG2 :: 21.7460 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 :: 7.6840 HA :: 4.1960 HB :: 4.2270 HG21 :: 1.2970 HG22 :: 1.2970 HG23 :: 1.2970 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 :: 113.8830 Ave N Shift Values>> N :: 115.42(4.75) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.02 L 0.01 C Shift Assignments>> C :: 178.2410 CA :: 52.6810 CB :: 19.6060 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1860 HA :: 3.9560 HB1 :: 1.3040 HB2 :: 1.3040 HB3 :: 1.3040 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5300 Ave N Shift Values>> N :: 123.23(3.54) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 G 0.34 C 0.06 F 0.06 D 0.06 Y 0.03 K 0.01 C Shift Assignments>> C :: 174.9680 CA :: 43.9910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8820 HA2 :: 3.8610 HA3 :: 4.7260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4850 Ave N Shift Values>> N :: 109.67(3.87) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 K 0.2 F 0.09 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 176.8450 CA :: 55.0570 CB :: 42.2790 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 :: 8.9730 HA :: 4.9730 HB2 :: 2.3900 HB3 :: 2.6890 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 :: 122.8840 Ave N Shift Values>> N :: 120.65(3.86) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D66 1.D66 C Shift Assignments>> C :: 173.6630 CA :: 57.8740 CB :: 64.2930 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7830 HA :: 4.6860 HB2 :: 3.6880 HB3 :: 4.2110 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1600 Ave N Shift Values>> N :: 116.28(3.52) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.07 C 0.03 L 0.02 C Shift Assignments>> C :: 177.5350 CA :: 53.0890 CB :: 19.9970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6960 HA :: 4.3960 HB1 :: 1.3780 HB2 :: 1.3780 HB3 :: 1.3780 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.2130 Ave N Shift Values>> N :: 123.23(3.54) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.34 C 0.19 C Shift Assignments>> C :: 176.1670 CA :: 53.4030 CB :: 44.2090 CG :: 27.0010 CD1 :: 27.0010 CD2 :: 24.6630 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 :: 7.9340 HA :: 5.2630 HB2 :: 0.9690 HB3 :: 1.4190 HG :: 1.3510 HD11 :: 0.6550 HD12 :: 0.6550 HD13 :: 0.6550 HD21 :: 0.5400 HD22 :: 0.5400 HD23 :: 0.5400 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 :: 124.9120 Ave N Shift Values>> N :: 121.86(3.9) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.0050 CA :: 61.2410 CB :: 70.1710 CG2 :: 22.7270 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 :: 7.9790 HA :: 4.4400 HB :: 4.0540 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.7700 Ave N Shift Values>> N :: 115.42(4.75) 1.V122 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>> C :: 175.8130 CA :: 60.6180 CB :: 32.6070 CG1 :: 21.8990 CG2 :: 21.8990 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 :: 8.4460 HA :: 4.7570 HB :: 1.9210 HG11 :: 0.8110 HG12 :: 0.8110 HG13 :: 0.8110 HG21 :: 0.8110 HG22 :: 0.8110 HG23 :: 0.8110 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 :: 126.6370 Ave N Shift Values>> N :: 121.14(4.54) 1.D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.16 K 0.07 C 0.05 F 0.05 Y 0.03 C Shift Assignments>> C :: 176.0140 CA :: 52.2490 CB :: 41.5220 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 :: 8.0340 HA :: 4.7930 HB2 :: 2.7640 HB3 :: 2.7640 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 :: 128.7590 Ave N Shift Values>> N :: 120.65(3.86) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.5970 CA :: 64.2190 CB :: 32.0460 CG :: 27.4260 CD :: 51.0350 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 :: 4.3140 HB2 :: 2.0820 HB3 :: 2.4130 HG2 :: 2.1560 HG3 :: 2.1560 HD2 :: 4.4360 HD3 :: 4.0510 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.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.21 C 0.03 L 0.01 C Shift Assignments>> C :: 179.3290 CA :: 54.1410 CB :: 19.2600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5440 HA :: 4.2960 HB1 :: 1.5200 HB2 :: 1.5200 HB3 :: 1.5200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.2000 Ave N Shift Values>> N :: 123.23(3.54) 1.T126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 C Shift Assignments>> C :: 173.3050 CA :: 60.2510 CB :: 68.6900 CG2 :: 21.3530 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 :: 6.8180 HA :: 4.4110 HB :: 4.4930 HG21 :: 1.0180 HG22 :: 1.0180 HG23 :: 1.0180 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 :: 104.0570 Ave N Shift Values>> N :: 115.42(4.75) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 A 0.02 G 0.02 C Shift Assignments>> C :: 177.0160 CA :: 55.1190 CB :: 42.4360 CG :: 26.7960 CD1 :: 26.7960 CD2 :: 23.4850 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 :: 6.4210 HA :: 4.7580 HB2 :: 1.7760 HB3 :: 1.4870 HG :: 1.3930 HD11 :: 0.7640 HD12 :: 0.7640 HD13 :: 0.7640 HD21 :: 0.9170 HD22 :: 0.9170 HD23 :: 0.9170 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 :: 124.4840 Ave N Shift Values>> N :: 121.86(3.9) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 G 0.01 C Shift Assignments>> C :: 174.0550 CA :: 60.5520 CB :: 41.9670 CG1 :: 26.6060 CG2 :: 17.2010 CD1 :: 12.8350 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 :: 9.2360 HA :: 4.4220 HB :: 1.5750 HG12 :: 1.0770 HG13 :: 1.5140 HG21 :: 0.8190 HG22 :: 0.8190 HG23 :: 0.8190 HD11 :: 0.8160 HD12 :: 0.8160 HD13 :: 0.8160 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 :: 132.6310 Ave N Shift Values>> N :: 121.46(4.28) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.2110 CA :: 61.8710 CB :: 33.9980 CG1 :: 21.2910 CG2 :: 22.6480 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 :: 8.1340 HA :: 4.8640 HB :: 2.0700 HG11 :: 1.0130 HG12 :: 1.0130 HG13 :: 1.0130 HG21 :: 1.0220 HG22 :: 1.0220 HG23 :: 1.0220 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 :: 125.6000 Ave N Shift Values>> N :: 121.14(4.54) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.3 C 0.19 K 0.03 P 0.01 C Shift Assignments>> C :: 176.7340 CA :: 50.2640 CB :: 23.2030 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.5350 HA :: 5.3590 HB1 :: 1.3010 HB2 :: 1.3010 HB3 :: 1.3010 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.1750 Ave N Shift Values>> N :: 123.23(3.54) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.25 N 0.12 K 0.1 F 0.05 C 0.05 Y 0.03 HN Overlap>> 1.I101 1.I101 C Shift Assignments>> C :: 177.3130 CA :: 52.7890 CB :: 41.7020 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 :: 8.7030 HA :: 5.0250 HB2 :: 2.6120 HB3 :: 3.5700 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 :: 120.9710 Ave N Shift Values>> N :: 120.65(3.86) 1.E132 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.33 M 0.05 Q 0.01 C Shift Assignments>> C :: 176.0380 CA :: 58.0620 CB :: 28.3320 CG :: 30.5600(S) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3630 HA :: 4.6370 HB2 :: 1.6820 HB3 :: 2.2450 HG2 :: 1.9670 HG3 :: 2.3690 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 :: 113.8950 Ave N Shift Values>> N :: 120.67(3.48) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.24 L 0.07 C 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.8930 CA :: 52.5840 CB :: 39.4810 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 :: 8.5490 HA :: 4.9410 HB2 :: 2.7330 HB3 :: 2.9910 HD21 :: 7.7880 HD22 :: 6.9170 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 :: 116.2000 ND2 :: 114.5160 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.2 E 0.13 Y 0.12 F 0.08 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 HN Overlap>> 1.S151 1.S151 C Shift Assignments>> C :: 174.0130 CA :: 54.5970 CB :: 37.2790 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 :: 8.3260 HA :: 4.2400 HB2 :: 2.7360 HB3 :: 3.1830 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 :: 115.2970 Ave N Shift Values>> N :: 120.65(3.86) 1.K135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 C 0.38 G 0.01 C Shift Assignments>> C :: 176.4900 CA :: 54.9230 CB :: 32.1220 CG :: 24.6350 CD :: 28.7100 CE :: 42.2990 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 :: 8.6220 HA :: 4.5190 HB2 :: 1.8920 HB3 :: 1.9610 HG2 :: 1.3790 HG3 :: 1.4720 HD2 :: 1.6950 HD3 :: 1.6950 HE2 :: 3.0310 HE3 :: 3.0310 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 :: 120.2190 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 F 0.16 Y 0.13 N 0.09 C 0.08 K 0.06 I 0.01 C Shift Assignments>> C :: 175.8260 CA :: 55.4480 CB :: 40.5610 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 :: 8.5170 HA :: 4.7100 HB2 :: 2.8150 HB3 :: 2.5910 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 :: 123.9840 Ave N Shift Values>> N :: 120.65(3.86) 1.I137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 59.7820 CB :: 40.6210 CG1 :: 26.8440 CG2 :: 17.5900 CD1 :: 12.9780 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 :: 8.8070 HA :: 4.6820 HB :: 1.6520 HG12 :: 1.0730 HG13 :: 1.3930 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 HD11 :: 0.8480 HD12 :: 0.8480 HD13 :: 0.8480 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 :: 124.6310 Ave N Shift Values>> N :: 121.46(4.28) 1.K138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.48 A 0.34 C 0.13 K 0.03 C Shift Assignments>> C :: 174.8210 CA :: 51.8120 CB :: 22.6880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.4760 HB1 :: 1.3050 HB2 :: 1.3050 HB3 :: 1.3050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.A141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.59 L 0.25 C 0.12 C Shift Assignments>> C :: 177.2660 CA :: 50.2640 CB :: 22.4180 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6680 HA :: 5.7340(S) HB1 :: 1.2810 HB2 :: 1.2810 HB3 :: 1.2810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2310 Ave N Shift Values>> N :: 123.23(3.54) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 173.1790 CA :: 57.0390 CB :: 64.9220 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6820 HA :: 4.7740 HB2 :: 3.6990 HB3 :: 3.8410 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 :: 116.1040 Ave N Shift Values>> N :: 116.28(3.52) 1.N143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 L 0.12 F 0.08 Y 0.06 C 0.06 C Shift Assignments>> C :: 175.3060 CA :: 53.3110 CB :: 40.0180 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 :: 8.6200 HA :: 4.8470 HB2 :: 2.8510 HB3 :: 3.1210 HD21 :: 7.7840 HD22 :: 7.5390 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 :: 123.5740 ND2 :: 114.4610 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.25 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.4850 CA :: 44.5670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4390 HA2 :: 3.8610 HA3 :: 4.5440 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2290 Ave N Shift Values>> N :: 109.67(3.87) 1.K145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.37 G 0.01 C Shift Assignments>> C :: 173.1920 CA :: 56.5000 CB :: 35.6170 CG :: 23.6610 CD :: 29.8970 CE :: 42.0180 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 :: 8.4060 HA :: 4.9960 HB2 :: 1.4700 HB3 :: 1.9410 HG2 :: 1.1170 HG3 :: 1.3160 HD2 :: 1.4500 HD3 :: 1.4500 HE2 :: 2.8320 HE3 :: 2.8320 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 :: 120.6080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.54 C 0.45 HN Overlap>> 1.T61 1.T61 C Shift Assignments>> C :: 175.9020 CA :: 60.2510 CB :: 39.7670 CG1 :: 26.6900 CG2 :: 17.1200 CD1 :: 10.8620 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 :: 8.5410 HA :: 4.5530 HB :: 1.1390 HG12 :: 0.2220 HG13 :: 1.0130 HG21 :: 0.4110 HG22 :: 0.4110 HG23 :: 0.4110 HD11 :: -0.9800(S) HD12 :: -0.9800(S) HD13 :: -0.9800(S) 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 :: 119.6610 Ave N Shift Values>> N :: 121.46(4.28) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.4230 CA :: 62.1970 CB :: 69.9990 CG2 :: 20.9930 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 :: 9.0810 HA :: 4.6970 HB :: 3.8830 HG21 :: 1.1030 HG22 :: 1.1030 HG23 :: 1.1030 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 :: 126.0210 Ave N Shift Values>> N :: 115.42(4.75) 1.V148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 177.5930 CA :: 61.3100 CB :: 31.6240 CG1 :: 21.3370 CG2 :: 22.4810 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 :: 8.4780 HA :: 4.8850 HB :: 2.3830 HG11 :: 0.8800 HG12 :: 0.8800 HG13 :: 0.8800 HG21 :: 1.1300 HG22 :: 1.1300 HG23 :: 1.1300 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 :: 128.5970 Ave N Shift Values>> N :: 121.14(4.54) 1.T149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.7290 CA :: 61.6150 CB :: 69.8430 CG2 :: 21.0000 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 :: 8.8930 HA :: 4.3760 HB :: 4.3310 HG21 :: 1.2320 HG22 :: 1.2320 HG23 :: 1.2320 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 :: 123.2020 Ave N Shift Values>> N :: 115.42(4.75) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 C 0.03 F 0.01 C Shift Assignments>> C :: 173.8490 CA :: 45.1490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2480 HA2 :: 3.9980 HA3 :: 4.1250 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0090 Ave N Shift Values>> N :: 109.67(3.87) 1.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D134 1.D134 C Shift Assignments>> C :: 173.8590 CA :: 57.9190 CB :: 64.1950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2640 HA :: 4.4880 HB2 :: 3.8680 HB3 :: 3.8680 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 :: 115.2840 Ave N Shift Values>> N :: 116.28(3.52) 1.A152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 175.6810 CA :: 50.7250 CB :: 18.0710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4210 HA :: 4.6250 HB1 :: 1.3820 HB2 :: 1.3820 HB3 :: 1.3820 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.1230 Ave N Shift Values>> N :: 123.23(3.54) 1.P153 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>> C :: 177.3030 CA :: 63.0690 CB :: 32.2080 CG :: 27.4420 CD :: 50.6580 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 :: 4.5460 HB2 :: 2.0080 HB3 :: 2.3480 HG2 :: 2.0570 HG3 :: 2.0570 HD2 :: 3.6980 HD3 :: 3.8470 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.T154 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>> C :: 174.0560 CA :: 61.6780 CB :: 69.8440 CG2 :: 21.6000 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 :: 8.3570 HA :: 4.3770 HB :: 4.3290 HG21 :: 1.2390 HG22 :: 1.2390 HG23 :: 1.2390 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 :: 114.0950 Ave N Shift Values>> N :: 115.42(4.75) 1.S155 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>> C :: 178.5620 CA :: 60.1000 CB :: 64.9280 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9690 HA :: 4.2800 HB2 :: 3.8710 HB3 :: 3.8710 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 :: 123.0630 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 145 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 0 C Shift Results: #Consistent: 639 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1012 #Duplicate: 0 #Unknown: 0 #Suspicious: 12 #Anomalous: 0 N Shift Results: #Consistent: 151 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S18 HA = 5.8620(S), Expected = 4.48, Std = 0.4000, ChiSquare = 5.5029e-04 1.D44 HA = 5.8180(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.2429e-04 1.K51 HB2 = 0.5590(S), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0396e-06 1.K51 HB3 = 0.5590(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.2195e-05 1.P59 HB2 = 0.1160(S), Expected = 2.08, Std = 0.3500, ChiSquare = 2.0066e-08 1.N60 HD22 = 8.8220(S), Expected = 7.14, Std = 0.4900, ChiSquare = 5.9771e-04 1.D66 HB2 = 1.2020(S), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2685e-09 1.D106 HA = 5.8870(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0538e-05 1.E132 Typing: Mistyped 1.E132 CG = 30.5600(S), Expected = 36.11, Std = 1.1900, ChiSquare = 3.1032e-06 1.A141 HA = 5.7340(S), Expected = 4.26, Std = 0.4400, ChiSquare = 8.0812e-04 1.I146 HD11 = -0.9800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.0396e-08 1.I146 HD12 = -0.9800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.0396e-08 1.I146 HD13 = -0.9800(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.0396e-08