Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.21 K 0.18 C 0.15 Q 0.14 R 0.09 H 0.09 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.5400 CA :: 55.4780 CB :: 32.8660 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>> HA :: 4.3590 HB2 :: 1.9890 HB3 :: 1.8730 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) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 176.0010 CA :: 54.0890 CB :: 41.1240 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 :: 8.2870 HA :: 4.5060 HB2 :: 2.6660 HB3 :: 2.5630 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 :: 122.0850 Ave N Shift Values>> N :: 120.65(3.86) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 C Shift Assignments>> C :: 177.7540 CA :: 52.8540 CB :: 18.8980 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3230 HA :: 4.2110 HB1 :: 1.3290 HB2 :: 1.3290 HB3 :: 1.3290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.3370 Ave N Shift Values>> N :: 123.23(3.54) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4320 CA :: 58.7960 CB :: 63.7000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2940 HA :: 4.3130 HB2 :: 3.8330 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 :: 114.8350 Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.11 HN Overlap>> 1.L151 1.L151 C Shift Assignments>> C :: 176.0010 CA :: 55.8640 CB :: 32.7250 CG :: 24.5650 CD :: 28.9210 CE :: 41.8440 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 :: 8.0460 HA :: 4.3150 HB2 :: 1.8150 HB3 :: 1.6760 HG2 :: 1.3650 HG3 :: 1.3110 HD2 :: 1.6060 HE2 :: 2.9050 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 :: 122.9680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.6080 CA :: 60.9690 CB :: 38.9400 CG1 :: 27.1700 CG2 :: 17.4900 CD1 :: 13.0750 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9540 HA :: 4.1050 HB :: 1.7870 HG12 :: 1.3920 HG13 :: 1.0890 HG21 :: 0.8360 HG22 :: 0.8360 HG23 :: 0.8360 HD11 :: 0.7600 HD12 :: 0.7600 HD13 :: 0.7600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.7040 Ave N Shift Values>> N :: 121.46(4.28) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 175.3940 CA :: 54.0890 CB :: 41.1240 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 :: 8.3570 HA :: 4.5450 HB2 :: 2.5980 HB3 :: 2.5010 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.5760 Ave N Shift Values>> N :: 120.65(3.86) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 C 0.22 M 0.09 R 0.04 E 0.01 C Shift Assignments>> C :: 173.6700 CA :: 53.3830 CB :: 29.2820 CG :: 33.3300 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1200 HA :: 4.5220 HB2 :: 2.0000 HB3 :: 1.8920 HG2 :: 2.2960 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.3370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.0920 CA :: 62.9060 CB :: 32.1500 CG :: 26.8450 CD :: 50.2420 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 :: 4.3730 HB2 :: 2.1160 HB3 :: 1.7220 HG3 :: 1.6700 HD2 :: 3.4950 HD3 :: 3.3570 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.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.06 R 0.05 Y 0.04 C 0.04 C Shift Assignments>> C :: 176.6690 CA :: 54.0800 CB :: 41.8300 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 :: 8.3210 HA :: 4.5410 HB2 :: 2.6530 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 :: 119.7790 Ave N Shift Values>> N :: 120.65(3.86) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.36 R 0.03 C Shift Assignments>> C :: 177.8680 CA :: 56.4690 CB :: 41.8600 CG :: 27.0600 CD1 :: 23.4500 CD2 :: 24.9800 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 :: 8.2080 HA :: 4.0730 HB2 :: 1.5580 HB3 :: 1.6270 HG :: 1.6340 HD11 :: 0.8330 HD12 :: 0.8330 HD13 :: 0.8330 HD21 :: 0.8920 HD22 :: 0.8920 HD23 :: 0.8920 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8800 Ave N Shift Values>> N :: 121.86(3.9) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.01 C Shift Assignments>> C :: 178.7220 CA :: 53.6450 CB :: 18.4600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2660 HA :: 4.1770 HB1 :: 1.3500 HB2 :: 1.3500 HB3 :: 1.3500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1150 Ave N Shift Values>> N :: 123.23(3.54) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 M 0.05 I 0.05 Q 0.05 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 177.8680 CA :: 57.5920 CB :: 29.9400 CG :: 36.2700 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 :: 8.0070 HA :: 4.1190 HB2 :: 2.0300 HG2 :: 2.2400 HG3 :: 2.2050 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.7100 Ave N Shift Values>> N :: 120.67(3.48) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.0840 CA :: 64.0630 CB :: 32.5780 CG1 :: 21.1670 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 :: 7.7340 HA :: 3.8940 HB :: 2.1160 HG11 :: 0.9510 HG12 :: 0.9510 HG13 :: 0.9510 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 :: 119.8440 Ave N Shift Values>> N :: 121.14(4.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.02 C Shift Assignments>> C :: 178.2140 CA :: 53.2000 CB :: 19.1200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2420 HA :: 4.2080 HB1 :: 1.3850 HB2 :: 1.3850 HB3 :: 1.3850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.7460 Ave N Shift Values>> N :: 123.23(3.54) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.2 C 0.11 C Shift Assignments>> C :: 174.9850 CA :: 53.0890 CB :: 38.9400 CG :: 176.8960 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 :: 7.9690 HA :: 4.6530 HB2 :: 2.7000 HB3 :: 2.8370 HD21 :: 7.6240 HD22 :: 6.9010 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 :: 115.7420 ND2 :: 112.9090 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> C :: 177.5680 CA :: 52.8500 CB :: 19.2000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7770 HA :: 4.2350 HB1 :: 1.3830 HB2 :: 1.3830 HB3 :: 1.3830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.0430 Ave N Shift Values>> N :: 123.23(3.54) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9000 CA :: 57.7120 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2250 HA :: 4.4490 HB2 :: 3.7850 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 :: 115.2150 Ave N Shift Values>> N :: 116.28(3.52) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.23 K 0.15 R 0.03 G 0.03 C Shift Assignments>> C :: 176.3230 CA :: 55.1250 CB :: 42.8000 CG :: 27.0800 CD2 :: 24.7000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0810 HA :: 4.1560 HB2 :: 1.6220 HB3 :: 1.5280 HG :: 1.3650 HD21 :: 0.8560 HD22 :: 0.8560 HD23 :: 0.8560 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 :: 124.8050 Ave N Shift Values>> N :: 121.86(3.9) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.23 L 0.16 F 0.07 Y 0.06 C 0.05 K 0.03 HN Overlap>> 1.K24 1.D10 1.K24 1.D10 C Shift Assignments>> C :: 176.8300 CA :: 53.3530 CB :: 40.6200 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 :: 8.4430 HA :: 4.6310 HB2 :: 2.7880 HB3 :: 2.5760 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.5540 Ave N Shift Values>> N :: 120.65(3.86) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.09 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 178.1680 CA :: 58.7330 CB :: 32.1710 CG :: 25.4500 CD :: 28.9700 CE :: 41.8200 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 :: 8.4840 HA :: 3.9700 HB2 :: 1.8120 HB3 :: 1.8960 HG2 :: 1.4260 HG3 :: 1.5300 HD2 :: 1.6790 HE2 :: 2.9700 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 :: 124.5090 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.14 C Shift Assignments>> C :: 177.5220 CA :: 57.5240 CB :: 31.9700 CG :: 25.1790 CD :: 28.8010 CE :: 41.8200 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 :: 8.2520 HA :: 4.2000 HB2 :: 1.8230 HB3 :: 1.9180 HG2 :: 1.4400 HG3 :: 1.4940 HD2 :: 1.6880 HE2 :: 2.9720 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.25 C 0.22 M 0.1 E 0.06 R 0.01 C Shift Assignments>> C :: 174.9970 CA :: 55.3040 CB :: 29.7300 CG :: 33.7580 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1040 HA :: 4.2840 HB2 :: 2.0340 HB3 :: 2.4090 HG2 :: 2.5660 HG3 :: 2.2340 HE21 :: 6.8010 HE22 :: 7.5450 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 :: 116.7230 NE2 :: 112.5570 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 177.2410 CA :: 63.2690 CB :: 32.1600 CG1 :: 22.4500 CG2 :: 22.0800 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 :: 7.4010 HA :: 4.2730 HB :: 2.1820 HG11 :: 1.0090 HG12 :: 1.0090 HG13 :: 1.0090 HG21 :: 1.1630 HG22 :: 1.1630 HG23 :: 1.1630 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 :: 120.5420 Ave N Shift Values>> N :: 121.14(4.54) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.4000 CA :: 60.9860 CB :: 39.2400 CG1 :: 26.5400 CG2 :: 18.3500 CD1 :: 14.2400 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 :: 9.0070 HA :: 4.6330 HB :: 2.1650 HG12 :: 1.0300 HG13 :: 0.8470 HG21 :: 0.9050 HG22 :: 0.9050 HG23 :: 0.9050 HD11 :: 0.8280 HD12 :: 0.8280 HD13 :: 0.8280 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.3810 Ave N Shift Values>> N :: 121.46(4.28) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.2360 CA :: 46.1000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6490 HA2 :: 4.1300 HA3 :: 4.5750 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.4610 Ave N Shift Values>> N :: 109.67(3.87) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.34 G 0.05 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 172.7550 CA :: 55.4500 CB :: 34.6900 CG :: 27.6300 CD :: 42.8600 CZ :: 159.2080 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.9080 HA :: 5.2440 HB2 :: 1.8720 HB3 :: 1.7810 HG3 :: 1.5370 HD2 :: 3.0800 HD3 :: 2.9090 HE :: 7.3350 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.9040 NE :: 84.0540 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.18 C Shift Assignments>> C :: 172.5940 CA :: 57.8540 CB :: 41.5100 CG1 :: 28.8000 CG2 :: 15.5400 CD1 :: 14.9600 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 :: 9.3960 HA :: 5.6370 HB :: 1.4240 HG12 :: 1.6950 HG13 :: 0.7260 HG21 :: 0.9070 HG22 :: 0.9070 HG23 :: 0.9070 HD11 :: 0.6750 HD12 :: 0.6750 HD13 :: 0.6750 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 :: 120.5560 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 0.98 T 0.01 C Shift Assignments>> C :: 174.4810 CA :: 55.5700 CB :: 65.8050 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.5580 HA :: 5.5450 HB2 :: 3.9970 HB3 :: 3.9660 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 :: 122.1450 Ave N Shift Values>> N :: 116.28(3.52) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.45 A 0.01 C Shift Assignments>> C :: 174.6530 CA :: 58.7020 CB :: 38.5300 CG1 :: 26.0600 CG2 :: 19.4700 CD1 :: 13.8700 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 :: 9.1280 HA :: 4.9760 HB :: 2.0040 HG12 :: 1.5720 HG13 :: 1.1280 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 HD11 :: 0.5460 HD12 :: 0.5460 HD13 :: 0.5460 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 :: 124.2860 Ave N Shift Values>> N :: 121.46(4.28) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 180.3510 CA :: 65.5350 CB :: 32.2100 CG :: 27.5100 CD :: 50.7700 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 :: 4.4650 HB2 :: 2.4340 HB3 :: 2.0800 HG2 :: 2.2580 HG3 :: 2.0720 HD2 :: 3.9070 HD3 :: 4.1130 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.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.7920 CA :: 61.8100 CB :: 62.6580 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3320 HA :: 4.1630 HB2 :: 3.7940 HB3 :: 3.8560 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 :: 114.1890 Ave N Shift Values>> N :: 116.28(3.52) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 V 0.24 C Shift Assignments>> C :: 174.8460 CA :: 59.6950 CB :: 30.8600 CG1 :: 21.1500 CG2 :: 18.6000 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 :: 6.9670 HA :: 4.6930 HB :: 2.4490 HG11 :: 0.6400 HG12 :: 0.6400 HG13 :: 0.6400 HG21 :: 0.6170 HG22 :: 0.6170 HG23 :: 0.6170 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 :: 109.2030 Ave N Shift Values>> N :: 121.14(4.54) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5810 CA :: 58.6410 CB :: 61.3260 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9590 HA :: 3.9460 HB2 :: 4.0280 HB3 :: 3.8830 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 :: 116.2410 Ave N Shift Values>> N :: 116.28(3.52) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.21 L 0.18 C Shift Assignments>> C :: 176.2070 CA :: 54.2160 CB :: 45.6200 CG :: 27.0277 CD1 :: 25.7100 CD2 :: 26.7538 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 :: 7.4290 HA :: 4.6560 HB2 :: 1.5090 HB3 :: 1.5340 HG :: 1.6130 HD11 :: 0.7960 HD12 :: 0.7960 HD13 :: 0.7960 HD21 :: 0.9360 HD22 :: 0.9360 HD23 :: 0.9360 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.8670 Ave N Shift Values>> N :: 121.86(3.9) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.31 M 0.26 Q 0.05 C Shift Assignments>> C :: 174.7825 CA :: 56.3030 CB :: 31.7400 CG :: 35.9200 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 :: 8.9640 HA :: 5.1880 HB2 :: 1.9890 HB3 :: 1.9050 HG2 :: 2.1820 HG3 :: 2.0890 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 :: 130.4910 Ave N Shift Values>> N :: 120.67(3.48) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.15 L 0.12 A 0.04 C Shift Assignments>> C :: 173.2730 CA :: 51.5720 CB :: 46.5800 CG :: 26.6500 CD1 :: 26.7300 CD2 :: 23.8300 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 :: 8.8070 HA :: 5.2180 HB2 :: 1.5140 HB3 :: 1.6130 HG :: 1.6460 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 HD21 :: 1.2320 HD22 :: 1.2320 HD23 :: 1.2320 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 :: 124.0570 Ave N Shift Values>> N :: 121.86(3.9) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 174.6520 CA :: 62.5830 CB :: 32.4600 CG :: 27.1900 CD :: 50.1280 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 :: 4.8610 HB2 :: 2.3960 HB3 :: 1.8030 HG2 :: 2.1040 HG3 :: 2.0570 HD2 :: 3.8720 HD3 :: 3.9180 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.V42 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 :: 174.8210 CA :: 61.2470 CB :: 33.0000 CG1 :: 21.6400 CG2 :: 22.2390 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 :: 7.9430 HA :: 4.8070 HB :: 1.2810 HG11 :: 0.7690 HG12 :: 0.7690 HG13 :: 0.7690 HG21 :: 0.8820 HG22 :: 0.8820 HG23 :: 0.8820 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 :: 120.7110 Ave N Shift Values>> N :: 121.14(4.54) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.21 L 0.15 R 0.13 C Shift Assignments>> C :: 176.3920 CA :: 52.8200 CB :: 44.4200 CG :: 28.6400 CD1 :: 26.1000 CD2 :: 26.1000 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 :: 9.2390 HA :: 5.2880 HB2 :: 1.3300 HB3 :: 1.5600 HG :: 1.4680 HD11 :: 0.7150 HD12 :: 0.7150 HD13 :: 0.7150 HD21 :: 0.7320 HD22 :: 0.7320 HD23 :: 0.7320 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 :: 128.4270 Ave N Shift Values>> N :: 121.86(3.9) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 M 0.18 C 0.18 Q 0.18 R 0.07 H 0.06 W 0.04 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.9700 CB :: 33.3300 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 :: 8.3150 HA :: 4.3430 HB2 :: 1.7140 HB3 :: 1.8700 HG2 :: 1.4010 HE2 :: 2.9660 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.0330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.8190 CA :: 59.7890 CB :: 63.6220 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6850 CA :: 57.4070 CB :: 61.9460 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7840 HA :: 4.1850 HB2 :: 3.8790 HB3 :: 3.6220 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 :: 122.0250 Ave N Shift Values>> N :: 116.28(3.52) 1.T47 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 :: 174.6550 CA :: 59.8640 CB :: 70.4500 CG2 :: 21.9500 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 :: 7.2990 HA :: 4.3030 HB :: 4.4910 HG21 :: 1.1670 HG22 :: 1.1670 HG23 :: 1.1670 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 :: 112.7870 Ave N Shift Values>> N :: 115.42(4.75) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.22 K 0.05 Q 0.02 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> C :: 178.9060 CA :: 59.8390 CB :: 29.3300 CG :: 36.4500 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 :: 8.8710 HA :: 3.9130 HB2 :: 1.9860 HB3 :: 2.0210 HG2 :: 2.3290 HG3 :: 2.2170 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 :: 121.8020 Ave N Shift Values>> N :: 120.67(3.48) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 179.5990 CA :: 58.7854 CB :: 32.3500 CG :: 25.2000 CD :: 28.9900 CE :: 41.7075 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 :: 8.2260 HA :: 3.9700 HB2 :: 1.7470 HB3 :: 1.6630 HG2 :: 1.4310 HG3 :: 1.3520 HD2 :: 1.6300 HE3 :: 2.9220 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 :: 115.7510 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 N 0.25 C Shift Assignments>> C :: 177.9330 CA :: 55.4710 CB :: 36.9300 CG :: 174.4680 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 :: 7.6870 HA :: 4.3050 HB2 :: 3.0000 HB3 :: 2.3940 HD21 :: 7.9570 HD22 :: 6.6610 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 :: 120.8800 ND2 :: 110.8000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.41 R 0.09 HN Overlap>> 1.E16 1.E16 C Shift Assignments>> C :: 177.3380 CA :: 56.4910 CB :: 41.4800 CG :: 27.4500 CD1 :: 24.1400 CD2 :: 26.5800 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 :: 7.9720 HA :: 4.1300 HB2 :: 1.1270 HB3 :: 1.6960 HG :: 1.4510 HD11 :: 0.5720 HD12 :: 0.5720 HD13 :: 0.5720 HD21 :: 0.5790 HD22 :: 0.5790 HD23 :: 0.5790 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.6610 Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.28 R 0.06 A 0.04 G 0.02 C Shift Assignments>> C :: 177.4760 CA :: 55.8060 CB :: 42.5440 CG :: 26.3700 CD1 :: 25.7100 CD2 :: 22.4200 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 :: 7.1640 HA :: 4.2980 HB2 :: 1.8320 HB3 :: 1.5100 HG :: 1.9110 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 HD21 :: 0.6330 HD22 :: 0.6330 HD23 :: 0.6330 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 :: 115.5300 Ave N Shift Values>> N :: 121.86(3.9) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.88 T 0.11 C Shift Assignments>> C :: 173.2730 CA :: 59.4230 CB :: 66.0130 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5180 HA :: 4.6000 HB2 :: 3.8470 HB3 :: 3.6450 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 :: 110.4480 Ave N Shift Values>> N :: 116.28(3.52) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 169.7710 CA :: 46.5100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3550 HA2 :: 3.8800 HA3 :: 3.8010 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.1860 Ave N Shift Values>> N :: 109.67(3.87) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.16 C 0.12 G 0.03 C Shift Assignments>> C :: 174.9980 CA :: 49.5310 CB :: 22.2600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9810 HA :: 4.5280 HB1 :: 1.2020 HB2 :: 1.2020 HB3 :: 1.2020 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4440 Ave N Shift Values>> N :: 123.23(3.54) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.37 L 0.33 C 0.21 G 0.03 K 0.02 P 0.01 C Shift Assignments>> C :: 177.3380 CA :: 49.5640 CB :: 23.0800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0130 HA :: 5.4100 HB1 :: 1.0600 HB2 :: 1.0600 HB3 :: 1.0600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3870 Ave N Shift Values>> N :: 123.23(3.54) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.7 C 0.29 C Shift Assignments>> C :: 174.8180 CA :: 61.8420 CB :: 69.0730 CG2 :: 23.3300 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 :: 8.2530 HA :: 4.2160 HB :: 4.0160 HG21 :: 1.0680 HG22 :: 1.0680 HG23 :: 1.0680 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.7760 Ave N Shift Values>> N :: 115.42(4.75) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.7690 CA :: 63.9390 CB :: 33.6500 CG1 :: 22.9600 CG2 :: 22.0800 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 :: 6.9950 HA :: 3.8740 HB :: 1.5400 HG11 :: 0.7000 HG12 :: 0.7000 HG13 :: 0.7000 HG21 :: 0.7880 HG22 :: 0.7880 HG23 :: 0.7880 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 :: 119.1770 Ave N Shift Values>> N :: 121.14(4.54) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.29 R 0.19 G 0.01 C Shift Assignments>> C :: 176.6460 CA :: 54.4500 CB :: 33.2200 CG :: 24.6400 CD :: 28.2000 CE :: 42.2800 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 :: 7.5030 HA :: 4.6550 HB2 :: 1.9200 HB3 :: 1.8370 HG2 :: 1.5890 HG3 :: 1.1040 HD2 :: 1.5380 HD3 :: 1.7820 HE2 :: 3.1430 HE3 :: 2.8180 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 :: 116.9180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.08 K 0.06 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.7250 CA :: 57.4030 CB :: 30.2600 CG :: 36.2700 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 :: 8.7280 HA :: 4.0640 HB2 :: 1.9530 HB3 :: 1.8850 HG2 :: 2.2340 HG3 :: 2.2730 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 :: 121.2740 Ave N Shift Values>> N :: 120.67(3.48) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.2 D 0.13 C Shift Assignments>> C :: 174.6520 CA :: 53.2300 CB :: 37.4700 CG :: 177.9660 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 :: 8.6380 HA :: 4.5700 HB2 :: 2.8400 HB3 :: 2.7900 HD21 :: 7.6000 HD22 :: 6.9090 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 :: 115.2890 ND2 :: 113.7810 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.24 M 0.17 K 0.15 E 0.14 C Shift Assignments>> C :: 175.5150 CA :: 55.9510 CB :: 30.3200 CG :: 34.3400 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 :: 7.7890 HA :: 4.3330 HB2 :: 2.0180 HB3 :: 1.7740 HG2 :: 2.2750 HG3 :: 2.2300 HE21 :: 7.7520 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 :: 116.5280 NE2 :: 107.6820 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.43 I 0.02 C Shift Assignments>> C :: 174.6520 CA :: 61.2270 CB :: 35.3570 CG2 :: 20.8800 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 :: 9.4230 HA :: 4.2850 HB :: 1.8320 HG11 :: 0.8600 HG12 :: 0.8600 HG13 :: 0.8600 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 :: 125.5040 Ave N Shift Values>> N :: 121.14(4.54) 1.M64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.81 M 0.14 I 0.03 C Shift Assignments>> C :: 175.5150 CA :: 59.2840 CB :: 31.3100 CG :: 34.3400 CE :: 17.9880 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 :: 8.6010 HA :: 2.6390(S) HB2 :: 0.3350(S) HB3 :: 1.2310 HG2 :: 1.1730(S) HG3 :: 2.3350 HE1 :: 2.0050 HE2 :: 2.0050 HE3 :: 2.0050 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 :: 126.3190 Ave N Shift Values>> N :: 120.09(3.57) 1.G65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.0300 CA :: 45.6100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 5.8070(S) HA2 :: 3.7700 HA3 :: 3.2270 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.8650 Ave N Shift Values>> N :: 109.67(3.87) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.45 R 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 177.0680 CA :: 53.6230 CB :: 35.7400 CG :: 24.2121 CD :: 28.4800 CE :: 41.8520 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 :: 7.6060 HA :: 4.8690 HB2 :: 1.5990 HB3 :: 1.5100 HG2 :: 1.2550 HG3 :: 1.1780 HD2 :: 1.5820 HD3 :: 1.6300 HE2 :: 2.9250 HE3 :: 2.8640 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.2720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G67 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 :: 172.3080 CA :: 45.5000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2120 HA2 :: 3.8110 HA3 :: 3.7530 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.5640 Ave N Shift Values>> N :: 109.67(3.87) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.82 C 0.14 D 0.02 C Shift Assignments>> C :: 174.3090 CA :: 51.1790 CB :: 36.8600 CG :: 176.8940 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 :: 8.7130 HA :: 4.8140 HB2 :: 3.0350 HB3 :: 2.4200 HD21 :: 6.6950 HD22 :: 6.3790 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 :: 118.8750 ND2 :: 105.8750 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.35 F 0.16 C Shift Assignments>> C :: 172.4110 CA :: 59.2500 CB :: 38.1700 CD2 :: 133.5460 CE2 :: 117.9550 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 :: 8.4610 HA :: 3.9140 HB2 :: 3.0800 HB3 :: 2.7390 HD2 :: 6.7940 HE2 :: 6.4170 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 :: 129.2840 Ave N Shift Values>> N :: 120.52(4.2) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.03 C Shift Assignments>> C :: 177.2420 CA :: 50.4260 CB :: 20.8340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.6480 HA :: 5.4580 HB1 :: 1.0200 HB2 :: 1.0200 HB3 :: 1.0200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.8580 Ave N Shift Values>> N :: 123.23(3.54) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 G 0.13 L 0.04 C Shift Assignments>> C :: 173.9610 CA :: 52.9810 CB :: 48.2290 CG :: 26.5400 CD1 :: 25.4900 CD2 :: 27.0800 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 :: 9.3760 HA :: 5.1030 HB2 :: 1.8340 HB3 :: 1.2080 HG :: 1.4210 HD11 :: 0.7840 HD12 :: 0.7840 HD13 :: 0.7840 HD21 :: 0.8680 HD22 :: 0.8680 HD23 :: 0.8680 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 :: 124.6940 Ave N Shift Values>> N :: 121.86(3.9) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 A 0.27 C 0.22 G 0.17 P 0.02 K 0.02 C Shift Assignments>> C :: 175.1610 CA :: 49.0870 CB :: 23.2800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.2350 HA :: 5.6300 HB1 :: 1.1190 HB2 :: 1.1190 HB3 :: 1.1190 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2750 Ave N Shift Values>> N :: 123.23(3.54) 1.G73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.13 D 0.05 F 0.05 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.1620 CA :: 43.6755 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6930 HA2 :: 4.1750 HA3 :: 2.3680(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.7410 Ave N Shift Values>> N :: 109.67(3.87) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.19 M 0.19 K 0.19 C 0.18 R 0.06 H 0.06 W 0.04 E 0.02 V 0.02 C Shift Assignments>> CA :: 56.7760 CB :: 33.4500 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.6350 HB2 :: 2.8400 HB3 :: 2.8870 HE1 :: 7.7100 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.N75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.3 C 0.21 C Shift Assignments>> C :: 175.8150 CA :: 52.4810 CB :: 31.8500 CG :: 32.6820 CE :: 16.2850 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.8890 HA :: 4.7220 HB2 :: 1.4750 HB3 :: 2.2760 HG2 :: 2.2920 HG3 :: 2.6310 HE1 :: 1.8220 HE2 :: 1.8220 HE3 :: 1.8220 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 :: 121.5140 Ave N Shift Values>> N :: 120.09(3.57) 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 :: 172.9770 CA :: 58.8900 CB :: 61.5610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0170 HA :: 4.2320 HB2 :: 3.9010 HB3 :: 4.1360 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.8510 Ave N Shift Values>> N :: 116.28(3.52) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.08 C Shift Assignments>> C :: 173.6700 CA :: 54.5750 CB :: 36.0200 CG :: 24.7400 CD :: 29.0200 CE :: 41.8500 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 :: 7.1110 HA :: 4.4900 HB2 :: 1.3160 HB3 :: 1.5520 HG2 :: 1.3230 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 :: 116.7730 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.06 V 0.02 Q 0.02 C Shift Assignments>> C :: 178.5840 CA :: 57.2000 CB :: 32.3500 CG :: 24.5800 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 :: 8.1820 HA :: 4.5240 HB2 :: 1.6390 HB3 :: 1.7210 HG3 :: 1.3200 HD3 :: 1.4940 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 :: 125.6100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.6530 CA :: 45.3600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.0670 HA3 :: 4.0210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1910 Ave N Shift Values>> N :: 109.67(3.87) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 176.0350 CA :: 61.6540 CB :: 32.6000 CG1 :: 21.2000 CG2 :: 21.9630 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 :: 7.8070 HA :: 4.2780 HB :: 2.0290 HG11 :: 0.7860 HG12 :: 0.7860 HG13 :: 0.7860 HG21 :: 0.9230 HG22 :: 0.9230 HG23 :: 0.9230 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 :: 119.3930 Ave N Shift Values>> N :: 121.14(4.54) 1.L82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.88 A 0.09 L 0.02 C Shift Assignments>> C :: 175.6920 CA :: 57.2770 CB :: 38.6500 CG :: 26.4610 CD1 :: 20.8600 CD2 :: 27.3030 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 :: 9.9710 HA :: 3.7690 HB2 :: 2.0040 HB3 :: 1.6730 HG :: 1.1350 HD11 :: 0.7730 HD12 :: 0.7730 HD13 :: 0.7730 HD21 :: 1.7670(S) HD22 :: 1.7670(S) HD23 :: 1.7670(S) 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 :: 129.8100 Ave N Shift Values>> N :: 121.86(3.9) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 F 0.18 W 0.01 HN Overlap>> 1.A107 1.A107 C Shift Assignments>> C :: 175.8570 CA :: 54.2710 CB :: 35.9800 CD1 :: 129.7000 CE1 :: 129.7000 CZ :: 128.3900 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 :: 8.9100 HA :: 5.0490 HB2 :: 2.8040 HB3 :: 3.6770 HD1 :: 6.9760 HE1 :: 6.9760 HZ :: 6.7700 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 :: 122.7520 Ave N Shift Values>> N :: 120.45(4.18) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.7760 CA :: 62.5580 CB :: 64.3250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4680 HA :: 4.5300 HB2 :: 3.8960 HB3 :: 3.7530 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 :: 114.4480 Ave N Shift Values>> N :: 116.28(3.52) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.15 R 0.11 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 178.2610 CA :: 54.2650 CB :: 42.2200 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 :: 9.5970 HA :: 4.9350 HB2 :: 2.2060 HB3 :: 2.8010 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 :: 115.9280 Ave N Shift Values>> N :: 120.65(3.86) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 175.4460 CA :: 65.5750 CB :: 37.4000 CG1 :: 24.9200 CG2 :: 17.1800 CD1 :: 15.0100 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.0020 HA :: 3.5610 HB :: 1.5840 HG12 :: 1.3610 HG13 :: 0.8980 HG21 :: 0.2160 HG22 :: 0.2160 HG23 :: 0.2160 HD11 :: 0.2770 HD12 :: 0.2770 HD13 :: 0.2770 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 :: 114.4040 Ave N Shift Values>> N :: 121.46(4.28) 1.A87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.5 A 0.47 C 0.01 C Shift Assignments>> C :: 177.2320 CA :: 52.9620 CB :: 16.1600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1490 HA :: 3.6250 HB1 :: 0.4220(S) HB2 :: 0.4220(S) HB3 :: 0.4220(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6820 Ave N Shift Values>> N :: 123.23(3.54) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3070 CA :: 58.5780 CB :: 63.8550 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5920 HA :: 4.2580 HB2 :: 3.7790 HB3 :: 3.8880 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.8570 Ave N Shift Values>> N :: 116.28(3.52) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.28 R 0.18 G 0.01 C Shift Assignments>> C :: 174.6510 CA :: 55.4850 CB :: 42.3700 CG :: 27.6200 CD1 :: 26.2300 CD2 :: 24.2500 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 :: 7.0850 HA :: 4.0680 HB2 :: 1.2270 HB3 :: 1.6820 HG :: 1.6900 HD11 :: 0.7400 HD12 :: 0.7400 HD13 :: 0.7400 HD21 :: 0.7670 HD22 :: 0.7670 HD23 :: 0.7670 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.1510 Ave N Shift Values>> N :: 121.86(3.9) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 A 0.04 R 0.01 G 0.01 C Shift Assignments>> C :: 175.5380 CA :: 53.2573 CB :: 35.6730 CG :: 23.9600 CD :: 28.6900 CE :: 41.8060 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 :: 8.7260 HA :: 4.4310 HB3 :: 1.6420 HG2 :: 1.3970 HG3 :: 1.3350 HD2 :: 1.5970 HE2 :: 2.9820 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.6360 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 177.5890 CA :: 58.0850 CB :: 32.0900 CG :: 24.9400 CD :: 29.4400 CE :: 41.8300 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 :: 8.2490 HA :: 3.5660 HB3 :: 1.6200 HG2 :: 1.4550 HG3 :: 1.2140 HD3 :: 1.6790 HE3 :: 2.9820 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.5430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.4790 CA :: 44.7100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2110 HA2 :: 3.4390 HA3 :: 4.4120 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1720 Ave N Shift Values>> N :: 109.67(3.87) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.22 K 0.16 F 0.14 Y 0.1 C 0.06 N 0.04 R 0.02 I 0.01 C Shift Assignments>> C :: 175.6860 CA :: 55.7230 CB :: 41.2500 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 :: 8.2660 HA :: 4.5460 HB2 :: 2.4240 HB3 :: 2.7030 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 :: 122.4590 Ave N Shift Values>> N :: 120.65(3.86) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.09 G 0.02 C Shift Assignments>> C :: 176.3790 CA :: 54.7000 CB :: 34.8100 CG :: 24.7950 CD :: 28.2000 CE :: 42.4000 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 :: 8.0520 HA :: 5.0180 HB2 :: 1.7540 HB3 :: 1.2540 HG2 :: 1.5150 HG3 :: 1.5920 HD2 :: 1.5900 HD3 :: 1.4680 HE3 :: 2.9400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.8990 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.38 G 0.05 C Shift Assignments>> C :: 173.2740 CA :: 60.5400 CB :: 42.7100 CG1 :: 26.4500 CG2 :: 17.4600 CD1 :: 15.0700 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 :: 8.4530 HA :: 4.2890 HB :: 1.2800 HG12 :: 0.7060 HG13 :: 1.3660 HG21 :: 0.6820 HG22 :: 0.6820 HG23 :: 0.6820 HD11 :: 0.4050 HD12 :: 0.4050 HD13 :: 0.4050 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 :: 120.6510 Ave N Shift Values>> N :: 121.46(4.28) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 G 0.01 C Shift Assignments>> C :: 174.8260 CA :: 56.2370 CB :: 42.0500 CD1 :: 132.7700 CE1 :: 117.8400 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 :: 9.2950 HA :: 5.5900 HB2 :: 2.9350 HB3 :: 2.5220 HD1 :: 6.8220 HE1 :: 6.5650 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 :: 124.5300 Ave N Shift Values>> N :: 120.52(4.2) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.2 C 0.18 A 0.02 C Shift Assignments>> C :: 175.1740 CA :: 52.5320 CB :: 46.3300 CG :: 26.8620 CD1 :: 26.4300 CD2 :: 24.1800 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 :: 9.1890 HA :: 5.3950 HB2 :: 1.9270 HB3 :: 1.6400 HG :: 1.5940 HD11 :: 0.5230 HD12 :: 0.5230 HD13 :: 0.5230 HD21 :: 0.7150 HD22 :: 0.7150 HD23 :: 0.7150 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 :: 121.9990 Ave N Shift Values>> N :: 121.86(3.9) 1.Y98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.35 C 0.19 G 0.02 C Shift Assignments>> C :: 176.3790 CA :: 56.7000 CB :: 42.4500 CD2 :: 132.8800 CE2 :: 119.0000 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 :: 8.8830 HA :: 5.6220 HB2 :: 2.6760 HB3 :: 3.1450 HD2 :: 6.8950 HE2 :: 6.6620 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 :: 117.9540 Ave N Shift Values>> N :: 120.52(4.2) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.27 L 0.16 F 0.05 C 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 176.7250 CA :: 52.4500 CB :: 40.7500 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 :: 8.1450 HA :: 5.0200 HB2 :: 3.5600 HB3 :: 3.4290 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 :: 122.1480 Ave N Shift Values>> N :: 120.65(3.86) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.33 D 0.17 C Shift Assignments>> C :: 175.5140 CA :: 55.7040 CB :: 38.1700 CG :: 177.2400 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 :: 8.4200 HA :: 4.5500 HB2 :: 2.8840 HB3 :: 2.8580 HD21 :: 7.7030 HD22 :: 6.9780 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.9970 ND2 :: 113.9240 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.15 E 0.15 C Shift Assignments>> C :: 175.6890 CA :: 57.8000 CB :: 33.5900 CG :: 36.3100 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 :: 8.3770 HA :: 4.5210 HB2 :: 1.9850 HB3 :: 1.8910 HG2 :: 2.1240 HG3 :: 2.1440 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 :: 116.8920 Ave N Shift Values>> N :: 120.67(3.48) 1.N102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.33 D 0.27 N 0.19 C 0.19 C Shift Assignments>> C :: 172.2360 CA :: 52.7000 CB :: 43.0700 CG :: 175.5170 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 :: 9.2370 HA :: 5.2870 HB2 :: 2.2400 HB3 :: 1.5020(S) HD21 :: 7.3390 HD22 :: 6.7810 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.1460 ND2 :: 114.0350 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 M 0.09 E 0.04 C Shift Assignments>> C :: 174.4780 CA :: 54.1800 CB :: 33.9600 CG :: 37.7400 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 :: 8.6600 HA :: 4.5100 HB2 :: 1.7910 HB3 :: 1.8260 HG2 :: 1.6750 HG3 :: 1.7050 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.3670 Ave N Shift Values>> N :: 120.67(3.48) 1.Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 173.2720 CA :: 56.3240 CB :: 39.8300 CD1 :: 134.0400 CE1 :: 118.7200 CE2 :: 118.4240 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 :: 9.5720 HA :: 4.6880 HB2 :: 2.8300 HB3 :: 2.4510 HD1 :: 6.8000 HE1 :: 6.2670 HE2 :: 6.4870 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 :: 129.0080 Ave N Shift Values>> N :: 120.52(4.2) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.14 K 0.14 R 0.14 H 0.13 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 173.6230 CA :: 54.9750 CB :: 31.9700 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 :: 8.7460 HA :: 4.5340 HB2 :: 1.8350 HB3 :: 1.7940 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 :: 125.4640 Ave N Shift Values>> N :: 120.67(3.48) 1.Y106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.25 G 0.03 HN Overlap>> 1.E129 1.E129 C Shift Assignments>> C :: 174.3090 CA :: 55.8830 CB :: 42.3250 CD1 :: 132.7600 CE1 :: 117.3070 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 :: 9.4750 HA :: 5.3220 HB2 :: 2.6290 HB3 :: 2.2020 HD1 :: 6.4900 HE1 :: 6.0610 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 :: 125.8600 Ave N Shift Values>> N :: 120.52(4.2) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.07 C 0.06 HN Overlap>> 1.F83 1.F83 C Shift Assignments>> C :: 176.7840 CA :: 49.8810 CB :: 21.5300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8180 HA :: 5.0610 HB1 :: 1.1520 HB2 :: 1.1520 HB3 :: 1.1520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7220 Ave N Shift Values>> N :: 123.23(3.54) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 177.8680 CA :: 63.9540 CB :: 32.4300 CG1 :: 21.2800 CG2 :: 23.9400 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 :: 9.1120 HA :: 4.0490 HB :: 2.1590 HG11 :: 0.5860 HG12 :: 0.5860 HG13 :: 0.5860 HG21 :: 0.8020 HG22 :: 0.8020 HG23 :: 0.8020 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 :: 122.4070 Ave N Shift Values>> N :: 121.14(4.54) 1.T109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 HN Overlap>> 1.H125 1.H125 C Shift Assignments>> C :: 174.9980 CA :: 61.8560 CB :: 69.4870 CG2 :: 22.2700 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 :: 10.2540 HA :: 4.4070 HB :: 4.1660 HG21 :: 1.2030 HG22 :: 1.2030 HG23 :: 1.2030 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 :: 121.9360 Ave N Shift Values>> N :: 115.42(4.75) 1.G110 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 :: 169.8210 CA :: 45.7700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.3870 HA2 :: 3.9060 HA3 :: 4.0700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0830 Ave N Shift Values>> N :: 109.67(3.87) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.47 I 0.01 M 0.01 C Shift Assignments>> C :: 175.5210 CA :: 61.0930 CB :: 34.6000 CG2 :: 20.6080 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 :: 8.0550 HA :: 4.9700 HB :: 1.8450 HG21 :: 0.8280 HG22 :: 0.8280 HG23 :: 0.8280 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 :: 120.1010 Ave N Shift Values>> N :: 121.14(4.54) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 171.8890 CA :: 56.9040 CB :: 66.0750 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0730 HA :: 4.8710 HB2 :: 3.7460 HB3 :: 3.6730 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 :: 121.0700 Ave N Shift Values>> N :: 116.28(3.52) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.29 E 0.2 C Shift Assignments>> C :: 176.7200 CA :: 54.5240 CB :: 32.6590 CG :: 36.6900 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 :: 8.3560 HA :: 5.5330 HB2 :: 1.7860 HG2 :: 2.0460 HG3 :: 1.8290 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.3580 Ave N Shift Values>> N :: 120.67(3.48) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.06 A 0.03 C Shift Assignments>> C :: 175.2550 CA :: 58.2480 CB :: 36.4030 CG1 :: 19.3300 CG2 :: 21.3000 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 :: 8.9070 HA :: 5.0240 HB :: 2.2720 HG11 :: 0.5930 HG12 :: 0.5930 HG13 :: 0.5930 HG21 :: 0.8290 HG22 :: 0.8290 HG23 :: 0.8290 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 :: 116.1980 Ave N Shift Values>> N :: 121.14(4.54) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.49 C 0.42 S 0.08 C Shift Assignments>> CA :: 60.4500 CB :: 67.2820 CG2 :: 22.8072 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 :: 7.8540 HA :: 4.6110 HB :: 4.5280 HG21 :: 1.3190 HG22 :: 1.3190 HG23 :: 1.3190 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.6250 Ave N Shift Values>> N :: 115.42(4.75) 1.P116 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 :: 174.3160 CA :: 65.1210 CB :: 31.6600 CG :: 28.4000 CD :: 50.9400 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 :: 4.0110 HB2 :: 2.0600 HB3 :: 2.1450 HG2 :: 1.7260 HG3 :: 2.0700 HD2 :: 3.6730 HD3 :: 3.8260 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.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.29 L 0.1 F 0.08 Y 0.07 C 0.07 C Shift Assignments>> C :: 177.3610 CA :: 53.3300 CB :: 39.8300 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 :: 8.4570 HA :: 4.5880 HB2 :: 2.6090 HB3 :: 2.8280 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 :: 112.2980 Ave N Shift Values>> N :: 120.65(3.86) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.27 L 0.07 C Shift Assignments>> C :: 175.1230 CA :: 54.4250 CB :: 29.1000 CG :: 24.7100 CD :: 28.1400 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 :: 7.4390 HA :: 4.5660 HB2 :: 1.7910 HB3 :: 1.9490 HG2 :: 1.4530 HD2 :: 1.5330 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 :: 123.5490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.7920 CA :: 59.3930 CB :: 29.2990 CD1 :: 127.3100 CE3 :: 120.3600 CZ2 :: 114.8200 CZ3 :: 121.3800 CH2 :: 124.3500 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2660 HA :: 3.9060 HB2 :: 3.0820 HB3 :: 3.1840 HD1 :: 7.1800 HE3 :: 7.3640 HZ2 :: 7.3640 HZ3 :: 6.8640 HH2 :: 7.0460 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.9120 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.27 K 0.14 Q 0.12 I 0.1 R 0.01 C Shift Assignments>> C :: 178.5840 CA :: 58.8100 CB :: 28.7000 CG :: 35.4500 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 :: 8.9080 HA :: 3.9910 HB2 :: 1.9500 HB3 :: 1.9900 HG2 :: 1.9600 HG3 :: 2.0630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.0220 Ave N Shift Values>> N :: 120.67(3.48) 1.V121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.8530 CA :: 64.5300 CB :: 31.0900 CG1 :: 19.4800 CG2 :: 21.4400 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 :: 7.3590 HA :: 4.1510 HB :: 2.2100 HG11 :: 0.9320 HG12 :: 0.9320 HG13 :: 0.9320 HG21 :: 1.0180 HG22 :: 1.0180 HG23 :: 1.0180 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 :: 114.5730 Ave N Shift Values>> N :: 121.14(4.54) 1.V122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 174.9790 CA :: 60.7930 CB :: 31.2000 CG1 :: 16.8200(S) CG2 :: 22.9100 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 :: 7.5870 HA :: 3.9890 HB :: 1.7120 HG11 :: -0.1940(S) HG12 :: -0.1940(S) HG13 :: -0.1940(S) HG21 :: 0.4040 HG22 :: 0.4040 HG23 :: 0.4040 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 :: 109.2300 Ave N Shift Values>> N :: 121.14(4.54) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.4 M 0.12 I 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 175.0010 CA :: 55.7580 CB :: 30.6890 CG :: 37.0400 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 :: 6.7750 HA :: 3.8810 HB2 :: 1.9420 HB3 :: 1.8180 HG2 :: 2.3780 HG3 :: 2.1380 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 :: 121.1300 Ave N Shift Values>> N :: 120.67(3.48) 1.D124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.18 F 0.17 Y 0.15 C 0.08 N 0.07 K 0.06 I 0.01 C Shift Assignments>> C :: 177.4110 CA :: 55.7640 CB :: 40.5700 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 :: 8.3340 HA :: 4.3100 HB2 :: 2.8680 HB3 :: 2.4900 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 :: 119.8960 Ave N Shift Values>> N :: 120.65(3.86) 1.H125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 H 0.35 C 0.25 HN Overlap>> 1.T109 1.T109 C Shift Assignments>> C :: 175.6880 CA :: 54.1630 CB :: 29.7500 CD2 :: 119.2950 CE1 :: 135.0000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 10.1640 HA :: 5.0620 HB2 :: 2.8610 HB3 :: 3.5530 HD2 :: 7.1600 HE1 :: 8.2970 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.8740 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G126 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 :: 173.1010 CA :: 45.8300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5190 HA2 :: 3.6670 HA3 :: 4.1290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0360 Ave N Shift Values>> N :: 109.67(3.87) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.44 A 0.04 R 0.01 C Shift Assignments>> C :: 174.5920 CA :: 54.0100 CB :: 35.1000 CG :: 23.6100 CD :: 29.1800 CE :: 41.7000 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 :: 7.3180 HA :: 4.6550 HB2 :: 1.7950 HB3 :: 1.6350 HG2 :: 1.1540 HG3 :: 0.9390 HD3 :: 1.5260 HE2 :: 2.7620 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 :: 115.4860 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 174.9380 CA :: 53.9750 CB :: 41.4500 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 :: 8.5350 HA :: 5.3260 HB2 :: 2.5870 HB3 :: 2.4800 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 :: 123.0160 Ave N Shift Values>> N :: 120.65(3.86) 1.E129 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 M 0.04 E 0.01 HN Overlap>> 1.Y106 1.Y106 C Shift Assignments>> C :: 173.4460 CA :: 55.2030 CB :: 35.5300 CG :: 35.4900 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.5540 HA :: 5.4460 HB2 :: 2.0690 HB3 :: 1.9680 HG2 :: 2.2280 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 :: 125.8910 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.I130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 I 0.33 A 0.01 C Shift Assignments>> C :: 172.0610 CA :: 58.2270 CB :: 40.4500 CG1 :: 28.1200 CG2 :: 16.3730 CD1 :: 15.8000 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 :: 9.2450 HA :: 5.0160 HB :: 0.0410(S) HG12 :: 1.8620 HG13 :: 0.6470 HG21 :: 0.1180 HG22 :: 0.1180 HG23 :: 0.1180 HD11 :: 0.3130 HD12 :: 0.3130 HD13 :: 0.3130 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 :: 123.8010 Ave N Shift Values>> N :: 121.46(4.28) 1.T131 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 :: 172.9270 CA :: 61.8250 CB :: 71.0450 CG2 :: 22.1200 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 :: 7.7540 HA :: 5.0700 HB :: 3.4140 HG21 :: 0.8770 HG22 :: 0.8770 HG23 :: 0.8770 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 :: 121.5050 Ave N Shift Values>> N :: 115.42(4.75) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.14 C 0.14 R 0.06 C Shift Assignments>> C :: 175.8620 CA :: 52.5310 CB :: 43.4600 CG :: 27.2300 CD1 :: 25.6300 CD2 :: 24.5900 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 :: 9.5780 HA :: 5.3930 HB2 :: 0.9210 HB3 :: 1.5510 HG :: 1.3550 HD11 :: 0.3230 HD12 :: 0.3230 HD13 :: 0.3230 HD21 :: 0.5990 HD22 :: 0.5990 HD23 :: 0.5990 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 :: 125.7460 Ave N Shift Values>> N :: 121.86(3.9) 1.I133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.4 A 0.01 C Shift Assignments>> C :: 175.2840 CA :: 58.9540 CB :: 41.6300 CG1 :: 27.3100 CG2 :: 18.4600 CD1 :: 14.9100 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 :: 9.0310 HA :: 5.3960 HB :: 1.6970 HG12 :: 1.0450 HG13 :: 1.3300 HG21 :: 0.8300 HG22 :: 0.8300 HG23 :: 0.8300 HD11 :: 0.6390 HD12 :: 0.6390 HD13 :: 0.6390 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 :: 119.9840 Ave N Shift Values>> N :: 121.46(4.28) 1.T134 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 T 0.09 C Shift Assignments>> C :: 174.1540 CA :: 61.0720 CB :: 70.3780 CG2 :: 17.5100(S) 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 :: 8.4700 HA :: 4.8670 HB :: 4.4600 HG21 :: 1.4350 HG22 :: 1.4350 HG23 :: 1.4350 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.0290 Ave N Shift Values>> N :: 115.42(4.75) 1.C135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.79 C 0.19 C Shift Assignments>> CA :: 64.3420 CB :: 31.5500 CG1 :: 20.8300 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>> HA :: 3.7830 HB :: 1.7480 HG11 :: 0.3530 HG12 :: 0.3530 HG13 :: 0.3530 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) 1.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0850 CA :: 56.3170 CB :: 64.8500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8420 HA :: 4.3980 HB2 :: 3.9700 HB3 :: 3.8600 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 :: 111.3330 Ave N Shift Values>> N :: 116.28(3.52) 1.V138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.5840 CA :: 63.4510 CB :: 32.1400 CG1 :: 19.8300 CG2 :: 21.6400 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 :: 8.2230 HA :: 4.1740 HB :: 1.9060 HG11 :: 0.8950 HG12 :: 0.8950 HG13 :: 0.8950 HG21 :: 1.0570 HG22 :: 1.0570 HG23 :: 1.0570 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 :: 120.2710 Ave N Shift Values>> N :: 121.14(4.54) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.37 Q 0.07 R 0.06 C Shift Assignments>> C :: 175.7230 CA :: 55.5930 CB :: 33.4300 CG :: 25.0000 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 :: 7.8000 HA :: 4.3800 HB2 :: 1.7800 HB3 :: 1.6000 HG3 :: 1.3100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 N 0.09 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> CA :: 53.6490 CB :: 41.5870 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 :: 7.4880 HA :: 4.7030 HB2 :: 2.2870 HB3 :: 2.7380 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 :: 120.3140 Ave N Shift Values>> N :: 120.65(3.86) 1.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.26 N 0.25 Y 0.19 F 0.13 C 0.09 D 0.03 E 0.01 L 0.01 C Shift Assignments>> CB :: 38.4390 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>> HA :: 4.9280 HB3 :: 2.8760 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) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.6290 CB :: 63.5310 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7460 HA :: 4.1410 HB2 :: 3.9660 HB3 :: 3.8830 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 :: 117.0200 Ave N Shift Values>> N :: 116.28(3.52) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.76 R 0.11 K 0.11 C Shift Assignments>> C :: 176.5760 CA :: 54.8250 CB :: 38.1300 CG :: 25.0800 CD :: 28.6900 CE :: 41.5000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.7290 HB2 :: 1.5620 HB3 :: 1.3610 HG2 :: 1.3670 HG3 :: 1.2070 HD2 :: 1.4970 HD3 :: 1.4100 HE2 :: 2.7580 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.R144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 M 0.15 C 0.13 W 0.1 Q 0.09 K 0.09 E 0.08 C Shift Assignments>> C :: 176.5530 CA :: 54.4210 CB :: 31.1200 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.2050 HA :: 5.1020 HB2 :: 1.4500 HB3 :: 1.7300 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.1400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.41 C 0.17 C Shift Assignments>> C :: 174.9380 CA :: 57.7300 CB :: 40.6900 CD2 :: 132.3240 CE2 :: 118.8250 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 :: 8.4960 HA :: 5.1920 HB2 :: 2.6290 HB3 :: 2.4200 HD2 :: 6.8640 HE2 :: 6.7500 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 :: 120.0050 Ave N Shift Values>> N :: 120.52(4.2) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.9300 CA :: 60.5750 CB :: 33.4500 CG1 :: 21.6800 CG2 :: 22.6000 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 :: 8.9210 HA :: 4.8210 HB :: 1.8840 HG11 :: 0.6490 HG12 :: 0.6490 HG13 :: 0.6490 HG21 :: 0.7340 HG22 :: 0.7340 HG23 :: 0.7340 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 :: 119.8260 Ave N Shift Values>> N :: 121.14(4.54) 1.V147 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 :: 173.3470 CA :: 61.3270 CB :: 33.3300 CG1 :: 21.6700 CG2 :: 21.3060 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 :: 4.5350 HB :: 1.7980 HG11 :: 0.7200 HG12 :: 0.7200 HG13 :: 0.7200 HG21 :: 0.7500 HG22 :: 0.7500 HG23 :: 0.7500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 130.2740 Ave N Shift Values>> N :: 121.14(4.54) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.27 C 0.14 K 0.01 C Shift Assignments>> C :: 177.5870 CA :: 49.9960 CB :: 22.5800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4060 HA :: 5.4750 HB1 :: 1.2530 HB2 :: 1.2530 HB3 :: 1.2530 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.7830 Ave N Shift Values>> N :: 123.23(3.54) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 171.7180 CA :: 46.3400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6940 HA2 :: 4.9770 HA3 :: 3.2690 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.3980 Ave N Shift Values>> N :: 109.67(3.87) 1.D150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.22 R 0.19 K 0.07 C 0.04 G 0.04 F 0.04 N 0.02 Y 0.02 C Shift Assignments>> C :: 176.5510 CA :: 53.3130 CB :: 42.9050 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2620 HA :: 5.2230 HB2 :: 2.6660 HB3 :: 2.4370 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 :: 121.5510 Ave N Shift Values>> N :: 120.65(3.86) 1.L151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.28 L 0.19 A 0.04 G 0.01 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 176.7230 CA :: 56.4500 CB :: 42.3300 CG :: 26.9900 CD1 :: 22.1900 CD2 :: 27.3800 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 :: 8.0540 HA :: 3.6840 HB2 :: 1.6320 HB3 :: 0.8400 HG :: 1.0920 HD11 :: 0.2120 HD12 :: 0.2120 HD13 :: 0.2120 HD21 :: 0.8280 HD22 :: 0.8280 HD23 :: 0.8280 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.9170 Ave N Shift Values>> N :: 121.86(3.9) 1.V152 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 :: 176.5510 CA :: 62.3040 CB :: 33.2700 CG1 :: 20.6300 CG2 :: 21.1000 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 :: 9.6890 HA :: 4.2190 HB :: 1.8860 HG11 :: 0.6860 HG12 :: 0.6860 HG13 :: 0.6860 HG21 :: 0.8010 HG22 :: 0.8010 HG23 :: 0.8010 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 :: 126.6600 Ave N Shift Values>> N :: 121.14(4.54) 1.G153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 170.4630 CA :: 45.9600 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4920 HA2 :: 4.1250 HA3 :: 4.0710 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7840 Ave N Shift Values>> N :: 109.67(3.87) 1.T154 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 :: 173.0980 CA :: 61.2250 CB :: 71.3520 CG2 :: 21.2700 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 :: 7.9370 HA :: 4.9270 HB :: 3.7070 HG21 :: 0.8370 HG22 :: 0.8370 HG23 :: 0.8370 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 :: 114.6690 Ave N Shift Values>> N :: 115.42(4.75) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.4 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 174.3080 CA :: 54.7100 CB :: 36.3000 CG :: 24.2000 CD :: 29.1800 CE :: 41.9300 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 :: 8.6130 HA :: 4.5200 HB2 :: 1.7630 HB3 :: 1.5800 HG2 :: 1.2700 HG3 :: 1.3230 HD2 :: 1.6300 HE2 :: 2.9120 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 :: 124.5490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C 0.01 C Shift Assignments>> C :: 178.2770 CA :: 52.2250 CB :: 18.8800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3680 HA :: 4.7280 HB1 :: 1.3420 HB2 :: 1.3420 HB3 :: 1.3420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6060 Ave N Shift Values>> N :: 123.23(3.54) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.44 R 0.02 C Shift Assignments>> C :: 174.9380 CA :: 56.3900 CB :: 32.9700 CG :: 24.3900 CE :: 41.7200 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 :: 8.3930 HA :: 4.1740 HB2 :: 1.5880 HB3 :: 1.6660 HG2 :: 1.2790 HE2 :: 2.8420 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 :: 123.1200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 Q 0.04 R 0.02 V 0.02 C Shift Assignments>> C :: 181.0750 CA :: 57.4180 CB :: 33.8200 CG :: 24.5800 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 :: 7.8610 HA :: 4.1020 HB2 :: 1.6220 HB3 :: 1.7340 HG2 :: 1.3280 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 :: 128.0430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.BOC1 Overall Status: Residue type BOC not supported. 2.L2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.2700 HB2 :: 1.1500 HB3 :: 1.5500 HG :: 1.6500 HD11 :: 0.6800 HD12 :: 0.6800 HD13 :: 0.6800 HD21 :: 0.7200 HD22 :: 0.7200 HD23 :: 0.7200 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) 2.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.5000 HB2 :: 2.3700 HB3 :: 1.8000 HG2 :: 2.1900 HD2 :: 3.3700 HD3 :: 3.8700 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) 2.A4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HA :: 4.0900 HB1 :: 1.5300 HB2 :: 1.5300 HB3 :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.B275 Overall Status: Residue type B27 not supported. ########################################################################### Overall Results: #Consistent: 151 #Clerical: 0 #Suspicious: 10 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 153 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 160 #Suspicious: 1 C Shift Results: #Consistent: 640 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 984 #Duplicate: 0 #Unknown: 0 #Suspicious: 16 #Anomalous: 0 N Shift Results: #Consistent: 152 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M64 HA = 2.6390(S), Expected = 4.41, Std = 0.4800, ChiSquare = 2.2462e-04 1.M64 HB2 = 0.3350(S), Expected = 2.03, Std = 0.3400, ChiSquare = 6.1868e-07 1.M64 HG2 = 1.1730(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.6684e-04 1.G65 H = 5.8070(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0380e-04 1.G73 HA3 = 2.3680(S), Expected = 3.90, Std = 0.3700, ChiSquare = 3.4649e-05 1.L82 HD21 = 1.7670(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4908e-04 1.L82 HD22 = 1.7670(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4908e-04 1.L82 HD23 = 1.7670(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.4908e-04 1.A87 HB1 = 0.4220(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5803e-04 1.A87 HB2 = 0.4220(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5803e-04 1.A87 HB3 = 0.4220(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.5803e-04 1.N102 HB3 = 1.5020(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.5569e-04 1.V122 CG1 = 16.8200(S), Expected = 21.49, Std = 1.3600, ChiSquare = 5.9513e-04 1.V122 HG11 = -0.1940(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2006e-05 1.V122 HG12 = -0.1940(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2006e-05 1.V122 HG13 = -0.1940(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.2006e-05 1.E129 SRO Rule Break>> CG > CB : 0.99165623696287 1.I130 HB = 0.0410(S), Expected = 1.78, Std = 0.2900, ChiSquare = 2.0155e-09 1.T134 CG2 = 17.5100(S), Expected = 21.55, Std = 1.1100, ChiSquare = 2.7302e-04