Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.43 M 0.43 Q 0.09 K 0.02 C Shift Assignments>> CA :: 57.2050 CB :: 32.1390 CG :: 31.9500 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 :: 4.4570 HB2 :: 2.1310 HB3 :: 2.0850 HG2 :: 2.6050 HG3 :: 2.5280 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.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.42 C 0.02 I 0.02 HN Overlap>> 1.K129 1.K129 C Shift Assignments>> CA :: 54.6520 CB :: 18.3850 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3260 HA :: 4.1990 HB1 :: 1.4030 HB2 :: 1.4030 HB3 :: 1.4030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3840 Ave N Shift Values>> N :: 123.23(3.54) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.34 I 0.18 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> CA :: 59.4040 CB :: 29.5560 CG :: 36.6030 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 :: 8.4110 HA :: 4.1980 HB2 :: 2.2310 HG2 :: 2.3430 HG3 :: 2.3950 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 :: 118.8000 Ave N Shift Values>> N :: 120.67(3.48) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 60.6320 CB :: 38.4020 CD1 :: 132.3450 CD2 :: 132.3450 CE1 :: 117.8930 CE2 :: 117.8930 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 :: 8.4480 HA :: 4.0040 HB2 :: 3.4020 HB3 :: 2.9220 HD1 :: 6.6760 HD2 :: 6.6760 HE1 :: 6.3660 HE2 :: 6.3660 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 :: 123.8380 Ave N Shift Values>> N :: 120.52(4.2) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.1420 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2500 HA2 :: 3.7930 HA3 :: 3.4130 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.8160 Ave N Shift Values>> N :: 109.67(3.87) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 66.4490 CB :: 68.3910 CG2 :: 22.2650 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 :: 7.8680 HA :: 3.8020 HB :: 4.1780 HG21 :: 1.1720 HG22 :: 1.1720 HG23 :: 1.1720 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.5230 Ave N Shift Values>> N :: 115.42(4.75) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 L 0.44 C Shift Assignments>> CA :: 58.2250 CB :: 39.7530 CG :: 27.2800 CD1 :: 25.0930 CD2 :: 23.1320 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 :: 7.5940 HA :: 4.2390 HB2 :: 1.7970 HB3 :: 1.2270 HG :: 1.0220 HD11 :: 0.7090 HD12 :: 0.7090 HD13 :: 0.7090 HD21 :: 0.3090 HD22 :: 0.3090 HD23 :: 0.3090 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5020 Ave N Shift Values>> N :: 121.86(3.9) 1.L8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 L 0.22 A 0.03 C Shift Assignments>> CA :: 58.1340 CB :: 40.1360 CG :: 26.1500 CD1 :: 24.6450 CD2 :: 20.4240 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 :: 7.6540 HA :: 3.2730 HB2 :: 1.3800 HB3 :: 0.9020 HG :: 0.6460 HD11 :: 0.1900 HD12 :: 0.1900 HD13 :: 0.1900 HD21 :: -0.2500(S) HD22 :: -0.2500(S) HD23 :: -0.2500(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 :: 115.2220 Ave N Shift Values>> N :: 121.86(3.9) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.24 K 0.23 E 0.11 I 0.03 R 0.02 M 0.01 C Shift Assignments>> CA :: 58.7760 CB :: 28.9280 CG :: 34.2670 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 :: 7.6880 HA :: 3.8790 HB2 :: 2.1590 HB3 :: 2.0920 HG2 :: 2.3070 HE21 :: 7.3970 HE22 :: 6.8870 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.7430 NE2 :: 113.4700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 D 0.08 L 0.08 I 0.08 N 0.02 K 0.01 C Shift Assignments>> CA :: 57.6770 CB :: 39.9370 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 :: 8.6560 HA :: 4.3330 HB2 :: 2.8250 HB3 :: 2.6600 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.5540 Ave N Shift Values>> N :: 120.65(3.86) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.18 R 0.17 G 0.09 K 0.05 C Shift Assignments>> CA :: 58.4850 CB :: 43.2530 CD1 :: 26.8230 CD2 :: 26.2400 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 :: 8.8050 HA :: 3.8860 HB2 :: 2.0790 HB3 :: 1.4070 HD11 :: 0.9650 HD12 :: 0.9650 HD13 :: 0.9650 HD21 :: 0.7010 HD22 :: 0.7010 HD23 :: 0.7010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4080 Ave N Shift Values>> N :: 121.86(3.9) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 67.8290 CB :: 68.5210 CG2 :: 22.472 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 :: 8.3050 HA :: 3.8750 HB :: 4.3920 HG21 :: 1.3990 HG22 :: 1.3990 HG23 :: 1.3990 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.9450 Ave N Shift Values>> N :: 115.42(4.75) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.14 Y 0.14 F 0.12 D 0.11 L 0.03 E 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 54.6500 CB :: 38.2630 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 :: 8.1800 HA :: 4.5900 HB2 :: 2.9440 HB3 :: 2.8750 HD21 :: 7.8120 HD22 :: 6.9190 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 :: 119.1380 ND2 :: 111.9790 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 N 0.11 K 0.1 F 0.06 C 0.05 Y 0.04 R 0.02 C Shift Assignments>> CA :: 53.3580 CB :: 41.4580 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 :: 7.7780 HA :: 4.8260 HB2 :: 2.7950 HB3 :: 2.3130 HD21 :: 7.8090 HD22 :: 7.1680 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.9050 ND2 :: 116.0910 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 I 0.01 C Shift Assignments>> CA :: 60.8770 CB :: 41.3440 CG1 :: 28.5460 CG2 :: 14.5500 CD1 :: 18.3200 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 :: 7.2340 HA :: 4.7110 HB :: 1.7510 HG12 :: 1.9380 HG21 :: 0.7780 HG22 :: 0.7780 HG23 :: 0.7780 HD11 :: 0.7240 HD12 :: 0.7240 HD13 :: 0.7240 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 :: 120.6900 Ave N Shift Values>> N :: 121.46(4.28) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> CA :: 60.8040 CB :: 71.2630 CG2 :: 21.6980 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.1880 HA :: 4.5360 HB :: 4.7270 HG21 :: 1.2610 HG22 :: 1.2610 HG23 :: 1.2610 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 :: 120.0660 Ave N Shift Values>> N :: 115.42(4.75) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.45 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> CA :: 58.6930 CB :: 41.3270 CG :: 27.1190 CD1 :: 24.3970 CD2 :: 24.1200 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 :: 8.6620 HA :: 3.9960 HB2 :: 1.7120 HB3 :: 1.5530 HG :: 1.6730 HD11 :: 0.9480 HD12 :: 0.9480 HD13 :: 0.9480 HD21 :: 0.9060 HD22 :: 0.9060 HD23 :: 0.9060 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.0430 Ave N Shift Values>> N :: 121.86(3.9) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.33 E 0.23 K 0.02 C Shift Assignments>> CA :: 59.9860 CB :: 29.1480 CG :: 37.1300 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 :: 8.3740 HA :: 3.9470 HB2 :: 1.9340 HB3 :: 1.8840 HG2 :: 2.2950 HG3 :: 2.2070 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 :: 118.9680 Ave N Shift Values>> N :: 120.67(3.48) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.19 K 0.19 F 0.17 D 0.15 Y 0.13 C 0.07 R 0.02 N 0.02 I 0.01 C Shift Assignments>> CA :: 56.5910 CB :: 41.3120 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 :: 7.8570 HA :: 4.1430 HB2 :: 3.1320 HB3 :: 2.3420 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 :: 121.5420 Ave N Shift Values>> N :: 120.65(3.86) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 A 0.01 C Shift Assignments>> CA :: 56.9140 CB :: 41.1020 CG :: 26.3100 CD1 :: 25.6600 CD2 :: 22.6400 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 :: 8.4120 HA :: 3.4170 HB2 :: 1.9550 HB3 :: 1.1960 HG :: 1.0900 HD11 :: 0.4460 HD12 :: 0.4460 HD13 :: 0.4460 HD21 :: 0.2660 HD22 :: 0.2660 HD23 :: 0.2660 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 :: 120.9040 Ave N Shift Values>> N :: 121.86(3.9) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.29 I 0.13 K 0.12 Q 0.08 C Shift Assignments>> CA :: 59.2710 CB :: 28.9170 CG :: 35.6830 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4620 HA :: 3.7980 HB2 :: 2.0270 HG2 :: 2.2830 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1870 Ave N Shift Values>> N :: 120.67(3.48) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 R 0.09 E 0.04 M 0.01 I 0.01 C Shift Assignments>> CA :: 58.5870 CB :: 28.2350 CG :: 33.6310 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 :: 7.1350 HA :: 4.0190 HB2 :: 2.1520 HG2 :: 2.3900 HE21 :: 7.4120 HE22 :: 6.8570 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.6170 NE2 :: 112.5950 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.41 C Shift Assignments>> CA :: 57.7850 CB :: 39.6200 CG :: 26.1960 CD1 :: 26.2600 CD2 :: 22.5800 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 :: 7.8330 HA :: 3.7050 HB2 :: 1.7890 HB3 :: 1.1890 HG :: 1.5780 HD11 :: 0.7840 HD12 :: 0.7840 HD13 :: 0.7840 HD21 :: 0.3570 HD22 :: 0.3570 HD23 :: 0.3570 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 :: 121.3250 Ave N Shift Values>> N :: 121.86(3.9) 1.K24 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.S104 1.S51 1.S104 1.S51 C Shift Assignments>> CA :: 60.5450 CB :: 31.8120 CG :: 25.9190 CD :: 30.0800 CE :: 34.7600(S) 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 :: 8.3070 HA :: 3.6500 HB2 :: 1.5890 HG2 :: 1.1820 HD2 :: 1.5150 HE2 :: 2.4480 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 :: 116.0450 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.5570 CB :: 62.5650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7810 HA :: 4.1110 HB2 :: 3.9270 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 :: 116.0710 Ave N Shift Values>> N :: 116.28(3.52) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.31 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.2490 CB :: 18.7130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7350 HA :: 4.1750 HB1 :: 1.5170 HB2 :: 1.5170 HB3 :: 1.5170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4480 Ave N Shift Values>> N :: 123.23(3.54) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.15 I 0.14 K 0.12 E 0.1 Q 0.09 H 0.08 R 0.06 M 0.01 L 0.01 C Shift Assignments>> CA :: 59.3810 CB :: 28.6340 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3900 HA :: 4.6310 HB2 :: 3.3660 HB3 :: 3.1810 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.4800 Ave N Shift Values>> N :: 120.17(4.64) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.15 G 0.01 C Shift Assignments>> CA :: 58.4200 CB :: 31.5470 CG :: 24.5410 CD :: 29.2090 CE :: 42.3020 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 :: 7.6340 HA :: 3.9450 HB2 :: 1.9840 HB3 :: 1.9110 HG2 :: 1.4950 HD2 :: 1.7570 HE2 :: 3.0100 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 :: 118.3540 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.16 K 0.07 Q 0.02 C Shift Assignments>> CA :: 58.2400 CB :: 28.8640 CG :: 36.6680 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 :: 8.5520 HA :: 4.1570 HB2 :: 2.1310 HB3 :: 1.9870 HG2 :: 2.2960 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 :: 118.8750 Ave N Shift Values>> N :: 120.67(3.48) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.2 D 0.19 F 0.13 Y 0.09 C 0.06 R 0.04 N 0.02 C Shift Assignments>> CA :: 55.8830 CB :: 41.5270 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 :: 7.9620 HA :: 4.5880 HB2 :: 2.8440 HB3 :: 2.5650 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.6100 Ave N Shift Values>> N :: 120.65(3.86) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 A 0.03 I 0.02 C Shift Assignments>> CA :: 58.0330 CB :: 38.7690 CG1 :: 26.5000 CG2 :: 13.9300 CD1 :: 16.8600 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 :: 7.3170 HA :: 4.3670 HB :: 1.7160 HG12 :: 1.4050 HG21 :: 0.7690 HG22 :: 0.7690 HG23 :: 0.7690 HD11 :: 0.2600 HD12 :: 0.2600 HD13 :: 0.2600 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 :: 116.9300 Ave N Shift Values>> N :: 121.46(4.28) 1.P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.8450 CB :: 32.5140 CG :: 27.6910 CD :: 51.0400 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 :: 4.4610 HB2 :: 2.4650 HB3 :: 1.8420 HG2 :: 2.0260 HD2 :: 3.7790 HD3 :: 3.3250 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.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.1250 CB :: 63.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7780 HA :: 4.1410 HB2 :: 3.8660 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 :: 119.8080 Ave N Shift Values>> N :: 116.28(3.52) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.16 K 0.09 Q 0.04 C Shift Assignments>> CA :: 58.7000 CB :: 28.7120 CG :: 36.2210 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 :: 9.3360 HA :: 4.2050 HB2 :: 2.0200 HG2 :: 2.2440 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 :: 120.9060 Ave N Shift Values>> N :: 120.67(3.48) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.31 R 0.25 C Shift Assignments>> CA :: 55.4600 CB :: 32.2570 CG :: 24.6070 CD :: 28.2180 CE :: 42.1880 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 :: 7.6590 HA :: 4.3470 HB2 :: 1.7060 HG2 :: 1.3950 HD2 :: 1.6880 HE2 :: 3.0060 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 :: 117.6980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.4500 CB :: 62.8200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7320 HA :: 3.6520 HB2 :: 3.8260 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 :: 114.4720 Ave N Shift Values>> N :: 116.28(3.52) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.09 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> CA :: 58.1130 CB :: 29.5440 CG :: 36.3580 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 :: 8.1870 HA :: 3.9700 HB2 :: 1.9460 HG2 :: 2.2270 HG3 :: 2.1840 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 :: 118.2580 Ave N Shift Values>> N :: 120.67(3.48) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 M 0.08 K 0.06 Q 0.04 I 0.03 C Shift Assignments>> CA :: 56.4940 CB :: 30.1020 CG :: 36.4690 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.4720 HA :: 4.1960 HB2 :: 2.1270 HB3 :: 2.0260 HG2 :: 2.2530 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 :: 115.6520 Ave N Shift Values>> N :: 120.67(3.48) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> CA :: 60.9190 CB :: 37.4040 CG1 :: 26.8700 CG2 :: 17.9100 CD1 :: 13.8900 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 :: 7.5040 HA :: 3.9850 HB :: 1.7780 HG12 :: 1.6030 HG13 :: 0.8240 HG21 :: 0.8820 HG22 :: 0.8820 HG23 :: 0.8820 HD11 :: 0.3880 HD12 :: 0.3880 HD13 :: 0.3880 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 :: 121.3670 Ave N Shift Values>> N :: 121.46(4.28) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 61.1690 CB :: 69.9130 CG2 :: 21.7100 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 :: 8.1730 HA :: 4.4590 HB :: 4.4160 HG21 :: 1.0360 HG22 :: 1.0360 HG23 :: 1.0360 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.1020 Ave N Shift Values>> N :: 115.42(4.75) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 T 0.27 C Shift Assignments>> CA :: 59.1160 CB :: 73.4418 CG2 :: 21.9520 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 :: 7.1040 HA :: 4.6020 HB :: 4.5310 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.6640 Ave N Shift Values>> N :: 115.42(4.75) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.09 L 0.04 P 0.03 A 0.03 C Shift Assignments>> CA :: 47.5110 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1960 HA2 :: 3.9310 HA3 :: 3.6170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2000 Ave N Shift Values>> N :: 109.67(3.87) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T77 1.T77 C Shift Assignments>> CA :: 61.5230 CB :: 62.4480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2080 HA :: 4.3600 HB2 :: 3.9640 HB3 :: 3.9330 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 :: 114.5640 Ave N Shift Values>> N :: 116.28(3.52) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.24 C 0.04 L 0.01 I 0.01 HN Overlap>> 1.I121 1.I121 C Shift Assignments>> CA :: 54.5260 CB :: 19.3330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9640 HA :: 4.2810 HB1 :: 1.6390 HB2 :: 1.6390 HB3 :: 1.6390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.7570 Ave N Shift Values>> N :: 123.23(3.54) 1.W45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 W 0.3 HN Overlap>> 1.L123 1.L123 C Shift Assignments>> CA :: 61.6300 CB :: 27.5240 CD1 :: 123.4170 CE3 :: 123.2410 CZ2 :: 113.2510 CZ3 :: 120.4200 CH2 :: 122.5810 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 :: 8.0010 HA :: 4.2280 HB2 :: 3.3980 HB3 :: 2.7790 HD1 :: 6.7590 HE1 :: 8.9820 HE3 :: 6.7250 HZ2 :: 7.0300 HZ3 :: 6.3290 HH2 :: 6.8160 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 :: 122.9040 NE1 :: 125.9240 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> CA :: 61.6920 CB :: 37.8450 CD1 :: 131.8140 CD2 :: 131.8140 CE1 :: 130.8230 CE2 :: 130.8230 CZ :: 129.2380 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 :: 8.2500 HA :: 3.8860 HB2 :: 2.9460 HB3 :: 3.0140 HD1 :: 6.9490 HD2 :: 6.9490 HE1 :: 7.2020 HE2 :: 7.2020 HZ :: 7.2680 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 :: 116.6990 Ave N Shift Values>> N :: 120.45(4.18) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.7230 CB :: 62.7690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3310 HA :: 4.4190 HB2 :: 3.9870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.7400 Ave N Shift Values>> N :: 116.28(3.52) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.33 C 0.2 C Shift Assignments>> CA :: 61.7870 CB :: 38.9310 CD1 :: 131.5370 CD2 :: 131.5370 CE1 :: 129.7580 CE2 :: 129.7580 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 :: 8.1750 HA :: 4.2520 HB2 :: 3.3820 HB3 :: 3.2660 HD1 :: 7.0320 HD2 :: 7.0320 HE1 :: 6.9410 HE2 :: 6.9410 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 :: 124.3100 Ave N Shift Values>> N :: 120.45(4.18) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.28 A 0.01 C Shift Assignments>> CA :: 58.2330 CB :: 41.5250 CG :: 25.3800 CD1 :: 21.7400 CD2 :: 25.1900 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 :: 8.2120 HA :: 3.5220 HB2 :: 1.8060 HG :: 1.2840 HD11 :: 0.5160 HD12 :: 0.5160 HD13 :: 0.5160 HD21 :: -0.2120 HD22 :: -0.2120 HD23 :: -0.2120 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 :: 120.5650 Ave N Shift Values>> N :: 121.86(3.9) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.37 I 0.08 M 0.06 K 0.02 Q 0.01 C Shift Assignments>> CA :: 59.1760 CB :: 30.6240 CG :: 36.5340 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 :: 8.7020 HA :: 4.5760 HB2 :: 2.2880 HB3 :: 1.9810 HG2 :: 2.5840 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 :: 120.6390 Ave N Shift Values>> N :: 120.67(3.48) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K24 1.S104 1.K24 1.S104 C Shift Assignments>> CA :: 60.5750 CB :: 62.8810 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2720 HA :: 4.1780 HB2 :: 3.8390 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 :: 116.0440 Ave N Shift Values>> N :: 116.28(3.52) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.36 C 0.26 C Shift Assignments>> CA :: 56.4170 CB :: 28.4200 CD2 :: 120.9830 CE1 :: 137.2920 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 :: 7.2170 HA :: 4.4040 HB2 :: 2.0950 HB3 :: 3.2900 HD2 :: 6.4040 HE1 :: 7.6690 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 :: 118.1340 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.21 N 0.2 Y 0.1 M 0.1 F 0.06 K 0.02 D 0.01 I 0.01 C Shift Assignments>> CA :: 54.8050 CB :: 36.7630 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 :: 7.8930 HA :: 4.5100 HB2 :: 2.6780 HB3 :: 3.0180 HD21 :: 7.4420 HD22 :: 6.7240 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 :: 113.5970 ND2 :: 112.0420 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.33 R 0.19 G 0.01 A 0.01 C Shift Assignments>> CA :: 54.2630 CB :: 33.5450 CG :: 24.1590 CD :: 27.7840 CE :: 42.1990 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 :: 8.0820 HA :: 4.2350 HB2 :: 1.3350 HB3 :: 1.0490 HG2 :: 0.8000 HD2 :: 1.0300 HE2 :: 2.4640 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 :: 113.1230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.41 L 0.07 A 0.01 C Shift Assignments>> CA :: 55.2670 CB :: 46.3770 CG :: 26.8100 CD1 :: 28.2600 CD2 :: 23.7760 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.8820 HA :: 4.6550 HB2 :: 1.4050 HB3 :: 1.0870 HG :: 1.9220 HD11 :: 1.0790 HD12 :: 1.0790 HD13 :: 1.0790 HD21 :: 0.8850 HD22 :: 0.8850 HD23 :: 0.8850 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 :: 120.2150 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.26 K 0.12 R 0.11 F 0.05 N 0.04 C 0.04 Y 0.03 G 0.01 C Shift Assignments>> CA :: 53.6660 CB :: 42.3150 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 :: 8.0780 HA :: 4.3920 HB2 :: 2.9920 HB3 :: 2.8370 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 :: 120.8310 Ave N Shift Values>> N :: 120.65(3.86) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.28 R 0.15 G 0.01 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> CA :: 58.6520 CB :: 31.3180 CG :: 23.2110 CD :: 29.4900 CE :: 42.4450 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 :: 7.9580 HA :: 3.3650 HB2 :: 1.5160 HG2 :: 0.8320 HD2 :: 1.0190 HE2 :: 2.8980 HE3 :: 2.8000 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 :: 115.2030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.24 D 0.17 K 0.07 F 0.04 C 0.04 G 0.03 Y 0.03 N 0.01 C Shift Assignments>> CA :: 54.2830 CB :: 43.0590 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 :: 8.3360 HA :: 4.9570 HB2 :: 2.7220 HB3 :: 2.3910 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.0740 Ave N Shift Values>> N :: 120.65(3.86) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.08 F 0.06 Y 0.05 L 0.04 C Shift Assignments>> CA :: 52.7290 CB :: 38.8770 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 :: 7.8500 HA :: 4.9600 HB2 :: 2.6550 HB3 :: 2.5700 HD21 :: 8.0710 HD22 :: 6.6020 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 :: 119.8350 ND2 :: 113.4700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.22 K 0.07 A 0.01 G 0.01 C Shift Assignments>> CA :: 54.2480 CB :: 42.1900 CD1 :: 26.3820 CD2 :: 24.0590 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 :: 8.9950 HA :: 4.5600 HB2 :: 1.8170 HB3 :: 1.6040 HG :: 1.6750 HD11 :: 0.9910 HD12 :: 0.9910 HD13 :: 0.9910 HD21 :: 0.8700 HD22 :: 0.8700 HD23 :: 0.8700 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 :: 125.5410 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.0020 CB :: 62.9870 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8800 HA :: 4.1590 HB2 :: 3.9830 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.3440 Ave N Shift Values>> N :: 116.28(3.52) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> CA :: 62.2050 CB :: 38.9250 CD1 :: 132.7300 CD2 :: 132.7300 CE1 :: 118.9170 CE2 :: 118.9170 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 :: 8.7650 HA :: 4.2990 HB2 :: 3.1090 HB3 :: 3.0540 HD1 :: 6.8410 HD2 :: 6.8410 HE1 :: 6.8290 HE2 :: 6.8290 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 :: 125.0870 Ave N Shift Values>> N :: 120.52(4.2) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 65.1180 CB :: 37.3830 CG2 :: 19.8830 CD1 :: 14.5550 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 :: 7.6310 HA :: 3.6420 HB :: 1.3290 HG21 :: 0.8080 HG22 :: 0.8080 HG23 :: 0.8080 HD11 :: 0.8030 HD12 :: 0.8030 HD13 :: 0.8030 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 :: 111.3380 Ave N Shift Values>> N :: 121.46(4.28) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.35 E 0.12 C Shift Assignments>> CA :: 60.8950 CB :: 30.2380 CG :: 37.8640 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9870 HA :: 3.7250 HB2 :: 2.0180 HG2 :: 2.4550 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.0490 Ave N Shift Values>> N :: 120.67(3.48) 1.H65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.31 H 0.3 C Shift Assignments>> CA :: 59.0220 CB :: 28.5870 CD2 :: 120.4730 CE1 :: 137.7890 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 :: 7.5130 HA :: 4.4380 HB2 :: 3.3470 HB3 :: 3.1770 HD2 :: 6.7670 HE1 :: 8.1040 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 :: 117.6570 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.13 C Shift Assignments>> CA :: 61.7380 CB :: 35.0860 CG1 :: 26.7950 CG2 :: 18.8310 CD1 :: 9.5100 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 :: 7.9240 HA :: 3.4270 HB :: 1.8710 HG12 :: 1.3670 HG13 :: 1.1620 HG21 :: 0.9240 HG22 :: 0.9240 HG23 :: 0.9240 HD11 :: 0.5160 HD12 :: 0.5160 HD13 :: 0.5160 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.2810 Ave N Shift Values>> N :: 121.46(4.28) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 F 0.26 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> CA :: 57.6820 CB :: 36.6780 CD1 :: 130.1170 CD2 :: 130.1170 CE1 :: 131.5750 CE2 :: 131.5750 CZ :: 127.6700 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 :: 8.7370 HA :: 4.4660 HB2 :: 3.4100 HB3 :: 3.1700 HD1 :: 6.8380 HD2 :: 6.8380 HE1 :: 7.2960 HE2 :: 7.2960 HZ :: 7.4020 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.0840 Ave N Shift Values>> N :: 120.45(4.18) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 I 0.19 K 0.04 Q 0.02 M 0.01 C Shift Assignments>> CA :: 60.1000 CB :: 29.7350 CG :: 36.3220 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 :: 8.2280 HA :: 4.0860 HB2 :: 2.2890 HB3 :: 2.2340 HG2 :: 2.1130 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 :: 120.7390 Ave N Shift Values>> N :: 120.67(3.48) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> CA :: 64.2310 CB :: 37.6270 CG1 :: 26.7300 CG2 :: 17.7490 CD1 :: 13.7210 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 :: 8.3930 HA :: 4.0400 HB :: 1.8980 HG12 :: 1.2340 HG21 :: 0.7900 HG22 :: 0.7900 HG23 :: 0.7900 HD11 :: 0.6920 HD12 :: 0.6920 HD13 :: 0.6920 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.5350 Ave N Shift Values>> N :: 121.46(4.28) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.5020 CB :: 63.0290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8570 HA :: 4.4190 HB2 :: 3.8150 HB3 :: 3.7540 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 :: 115.0580 Ave N Shift Values>> N :: 116.28(3.52) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.31 R 0.11 G 0.1 K 0.03 C Shift Assignments>> CA :: 56.4520 CB :: 26.3500 CG :: 27.0290 CD :: 43.5930 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7530 HA :: 3.9020 HB2 :: 2.1250 HB3 :: 1.7990 HG2 :: 1.5290 HD2 :: 3.2010 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 :: 115.6210 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.R72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> P 0.84 C 0.06 H 0.02 W 0.01 L 0.01 Q 0.01 R 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> CA :: 49.6130 CB :: 28.5620 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 :: 8.0060 HA :: 5.0740 HB2 :: 1.5690 HB3 :: 1.6250 HG2 :: 1.3540 HG3 :: 1.4130 HD2 :: 3.3030 HD3 :: 3.4020 HE :: 9.0000 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 :: 115.2260 NE :: 110.7040(A) 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.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.6980 CB :: 31.3290 CG :: 26.9330 CD :: 51.3170 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 :: 4.3370 HB2 :: 2.2810 HB3 :: 2.0540 HG2 :: 1.9250 HG3 :: 1.8660 HD2 :: 3.8520 HD3 :: 3.6390 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.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.19 F 0.17 N 0.15 E 0.08 D 0.06 I 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 55.9900 CB :: 38.0350 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 :: 9.1520 HA :: 4.1800 HB2 :: 2.7720 HB3 :: 2.4200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.6000 Ave N Shift Values>> N :: 120.65(3.86) 1.L75 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 A 0.14 C Shift Assignments>> CA :: 56.3620 CB :: 38.6390 CG :: 21.7930(S) CD1 :: 25.8370 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 :: 7.0440 HA :: 3.9070 HB2 :: 1.3300 HG :: 0.5360 HD11 :: 0.2390 HD12 :: 0.2390 HD13 :: 0.2390 HD21 :: 0.0910 HD22 :: 0.0910 HD23 :: 0.0910 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 :: 120.7620 Ave N Shift Values>> N :: 121.86(3.9) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.42 R 0.12 G 0.02 C Shift Assignments>> CA :: 58.8530 CB :: 42.6060 CG :: 27.2100 CD1 :: 25.9040 CD2 :: 24.5420 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 :: 7.8500 HA :: 4.1180 HB2 :: 1.9660 HB3 :: 1.5410 HG :: 1.7080 HD11 :: 1.1090 HD12 :: 1.1090 HD13 :: 1.1090 HD21 :: 1.0390 HD22 :: 1.0390 HD23 :: 1.0390 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 :: 118.9170 Ave N Shift Values>> N :: 121.86(3.9) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> 1.S43 1.S43 C Shift Assignments>> CA :: 66.8820 CB :: 68.9910 CG2 :: 21.4930 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 :: 8.2870 HA :: 3.8300 HB :: 4.1610 HG21 :: 1.2120 HG22 :: 1.2120 HG23 :: 1.2120 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 :: 114.5740 Ave N Shift Values>> N :: 115.42(4.75) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.23 Q 0.07 E 0.01 C Shift Assignments>> CA :: 59.8380 CB :: 32.6970 CG :: 33.1020 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 :: 7.0320 HA :: 4.1550 HB2 :: 2.7860 HG2 :: 2.5820 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.8730 Ave N Shift Values>> N :: 120.09(3.57) 1.V79 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>> CA :: 66.9810 CB :: 32.0320 CG1 :: 24.0680 CG2 :: 23.6700 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 :: 7.6330 HA :: 3.7210 HB :: 2.5500 HG11 :: 1.3150 HG12 :: 1.3150 HG13 :: 1.3150 HG21 :: 1.1510 HG22 :: 1.1510 HG23 :: 1.1510 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 :: 120.0460 Ave N Shift Values>> N :: 121.14(4.54) 1.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> CA :: 67.1050 CB :: 31.8470 CG1 :: 22.8690 CG2 :: 21.4060 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 :: 8.6010 HA :: 3.5410 HB :: 2.1060 HG11 :: 1.0330 HG12 :: 1.0330 HG13 :: 1.0330 HG21 :: 0.9270 HG22 :: 0.9270 HG23 :: 0.9270 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.5100 Ave N Shift Values>> N :: 121.14(4.54) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.09 K 0.07 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.6760 CB :: 40.5710 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 :: 8.6770 HA :: 4.3530 HB2 :: 2.8040 HB3 :: 2.6100 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.7600 Ave N Shift Values>> N :: 120.65(3.86) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 61.5030 CB :: 38.6230 CD1 :: 133.8250 CD2 :: 133.8250 CE1 :: 117.7200 CE2 :: 117.7200 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6080 HA :: 4.1870 HB2 :: 3.4100 HB3 :: 3.1770 HD1 :: 7.0010 HD2 :: 7.0010 HE1 :: 6.7520 HE2 :: 6.7520 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 :: 121.0250 Ave N Shift Values>> N :: 120.52(4.2) 1.R83 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.51 R 0.25 G 0.21 K 0.01 C Shift Assignments>> CA :: 59.8770 CB :: 30.3780 CG :: 28.3830 CD :: 44.1160 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 :: 8.5960 HA :: 3.6710 HB2 :: 1.9540 HB3 :: 1.9080 HG2 :: 1.7070 HD2 :: 3.2070 HD3 :: 3.1510 HE :: 8.3470 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.3790 NE :: 112.9430(A) 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.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 65.3160 CB :: 69.2730 CG2 :: 21.6360 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 :: 8.3050 HA :: 3.9460 HB :: 4.2940 HG21 :: 1.2100 HG22 :: 1.2100 HG23 :: 1.2100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.3300 Ave N Shift Values>> N :: 115.42(4.75) 1.R85 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.45 R 0.38 K 0.08 G 0.07 C Shift Assignments>> CA :: 58.9050 CB :: 30.8050 CG :: 28.1920 CD :: 43.4590 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9490 HA :: 4.0570 HB2 :: 1.7770 HG2 :: 1.6930 HD2 :: 3.1740 HE :: 7.6340 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 :: 121.4570 NE :: 113.2510(A) 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.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> CA :: 64.2640 CB :: 31.7070 CG1 :: 21.3040 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 :: 7.9620 HA :: 3.7970 HB :: 1.7300 HG11 :: 0.6810 HG12 :: 0.6810 HG13 :: 0.6810 HG21 :: 0.6320 HG22 :: 0.6320 HG23 :: 0.6320 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2320 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.32 R 0.02 A 0.01 C Shift Assignments>> CA :: 56.0560 CB :: 41.7330 CG :: 26.9090 CD1 :: 25.0300 CD2 :: 23.3060 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 :: 7.4630 HA :: 4.1580 HB2 :: 1.8070 HB3 :: 1.5210 HG :: 1.5840 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.8080 HD22 :: 0.8080 HD23 :: 0.8080 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 :: 120.8700 Ave N Shift Values>> N :: 121.86(3.9) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.19 G 0.01 C Shift Assignments>> CA :: 56.6890 CB :: 32.1220 CG :: 24.7550 CD :: 29.0340 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 :: 7.6020 HA :: 4.1680 HB2 :: 1.7860 HG2 :: 1.3400 HD2 :: 1.5720 HE2 :: 2.9070 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 :: 118.9250 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.8670 CB :: 38.6600 CG1 :: 27.5810 CG2 :: 17.5170 CD1 :: 13.2510 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 :: 7.8820 HA :: 4.0490 HB :: 1.7720 HG12 :: 1.4600 HG13 :: 1.0500 HG21 :: 0.8150 HG22 :: 0.8150 HG23 :: 0.8150 HD11 :: 0.7480 HD12 :: 0.7480 HD13 :: 0.7480 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 :: 120.8450 Ave N Shift Values>> N :: 121.46(4.28) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.5750 CB :: 63.8950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2880 HA :: 4.4170 HB2 :: 3.8530 HB3 :: 3.8170 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 :: 119.2100 Ave N Shift Values>> N :: 116.28(3.52) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.07 K 0.05 I 0.04 Q 0.03 C Shift Assignments>> CA :: 57.2750 CB :: 30.2530 CG :: 36.5190 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 :: 8.4230 HA :: 4.2350 HB2 :: 2.0400 HB3 :: 1.9560 HG2 :: 2.1890 HG3 :: 2.2630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.8410 Ave N Shift Values>> N :: 120.67(3.48) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.08 K 0.05 I 0.04 Q 0.03 HN Overlap>> 1.D96 1.D96 C Shift Assignments>> CA :: 57.2050 CB :: 30.2560 CG :: 36.5170 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 :: 8.3040 HA :: 4.1710 HB2 :: 1.9930 HB3 :: 1.9100 HG2 :: 2.2270 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 :: 120.3900 Ave N Shift Values>> N :: 120.67(3.48) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.02 HN Overlap>> 1.E94 1.E94 C Shift Assignments>> CA :: 54.8570 CB :: 41.4300 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 :: 8.2140 HA :: 4.5260 HB2 :: 2.6630 HB3 :: 2.6060 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 :: 120.9190 Ave N Shift Values>> N :: 120.65(3.86) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.08 K 0.06 Q 0.04 I 0.03 HN Overlap>> 1.D93 1.D93 C Shift Assignments>> CA :: 56.9940 CB :: 30.1940 CG :: 36.3920 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 :: 8.2370 HA :: 4.1860 HB2 :: 1.9750 HG2 :: 2.2160 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 :: 120.9560 Ave N Shift Values>> N :: 120.67(3.48) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.3 R 0.04 G 0.01 A 0.01 HN Overlap>> 1.K109 1.K109 C Shift Assignments>> CA :: 55.8100 CB :: 42.2970 CG :: 27.0080 CD1 :: 24.9770 CD2 :: 23.5170 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 :: 8.1470 HA :: 4.2170 HB2 :: 1.6440 HB3 :: 1.5310 HG :: 1.5860 HD11 :: 0.8560 HD12 :: 0.8560 HD13 :: 0.8560 HD21 :: 0.7980 HD22 :: 0.7980 HD23 :: 0.7980 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 :: 121.9660 Ave N Shift Values>> N :: 121.86(3.9) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 K 0.12 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 HN Overlap>> 1.E92 1.E92 C Shift Assignments>> CA :: 54.8450 CB :: 41.1820 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 :: 8.2490 HA :: 4.5640 HB2 :: 2.7220 HB3 :: 2.6240 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 :: 120.4580 Ave N Shift Values>> N :: 120.65(3.86) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 62.7290 CB :: 69.2580 CG2 :: 21.7930 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 :: 8.0230 HA :: 4.1890 HB :: 4.2120 HG21 :: 1.1800 HG22 :: 1.1800 HG23 :: 1.1800 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 :: 114.3060 Ave N Shift Values>> N :: 115.42(4.75) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> CA :: 57.2230 CB :: 32.4760 CG :: 25.0030 CD :: 29.0700 CE :: 41.9810 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 :: 8.2330 HA :: 4.2010 HB2 :: 1.8090 HG2 :: 1.4240 HG3 :: 1.3700 HD2 :: 1.6240 HE2 :: 2.9110 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 :: 122.0470 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.31 R 0.03 A 0.01 HN Overlap>> 1.I111 1.I111 C Shift Assignments>> CA :: 55.4910 CB :: 41.8550 CG :: 27.0270 CD1 :: 23.3560 CD2 :: 25.1280 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 :: 7.9980 HA :: 4.2960 HB2 :: 1.6720 HB3 :: 1.5490 HG :: 1.7330 HD11 :: 0.8730 HD12 :: 0.8730 HD13 :: 0.8730 HD21 :: 0.8090 HD22 :: 0.8090 HD23 :: 0.8090 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 :: 120.4780 Ave N Shift Values>> N :: 121.86(3.9) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.0700 CB :: 69.4850 CG2 :: 21.7010 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 :: 7.9530 HA :: 4.2150 HB :: 4.1790 HG21 :: 1.1500 HG22 :: 1.1500 HG23 :: 1.1500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.8250 Ave N Shift Values>> N :: 115.42(4.75) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.07 K 0.05 C Shift Assignments>> CA :: 55.9390 CB :: 30.8220 CG :: 27.1820 CD :: 43.4210 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 :: 8.1940 HA :: 4.3110 HB2 :: 1.7620 HG2 :: 1.5300 HD2 :: 3.1100 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 :: 123.2450 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.I102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> CA :: 58.7040 CB :: 38.4860 CG1 :: 27.0000 CG2 :: 17.1300 CD1 :: 12.7300 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 :: 8.1230 HA :: 4.3970 HB :: 1.8230 HG12 :: 1.4500 HG13 :: 1.1220 HG21 :: 0.8900 HG22 :: 0.8900 HG23 :: 0.8900 HD11 :: 0.7890 HD12 :: 0.7890 HD13 :: 0.7890 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 :: 123.4010 Ave N Shift Values>> N :: 121.46(4.28) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> CA :: 63.4430 CB :: 32.1270 CG :: 27.5390 CD :: 51.1340 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 :: 4.3560 HB2 :: 2.2560 HB3 :: 1.8600 HG2 :: 1.9420 HD2 :: 3.8330 HD3 :: 3.6470 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K24 1.K24 1.S51 1.S51 C Shift Assignments>> CA :: 58.3240 CB :: 63.7400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3230 HA :: 4.3580 HB2 :: 3.7340 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 :: 115.9790 Ave N Shift Values>> N :: 116.28(3.52) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.6630 CB :: 19.2470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.2610 HB1 :: 1.3450 HB2 :: 1.3450 HB3 :: 1.3450 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.39 R 0.12 C Shift Assignments>> CA :: 56.4270 CB :: 33.0660 CG :: 25.0060 CD :: 29.1950 CE :: 42.1970 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 :: 8.1520 HA :: 4.1600 HB2 :: 1.6500 HG2 :: 1.3120 HD2 :: 1.6670 HE2 :: 2.9190 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2920 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 C Shift Assignments>> CA :: 56.1970 CB :: 33.1180 CG :: 24.8110 CD :: 29.1140 CE :: 42.2070 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 :: 8.1760 HA :: 4.1670 HB2 :: 1.6160 HG2 :: 1.2340 HE2 :: 2.8960 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 :: 122.2180 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> 1.D110 1.E119 1.D110 1.E119 C Shift Assignments>> CA :: 57.8000 CB :: 38.9090 CD1 :: 133.2580 CD2 :: 133.2580 CE1 :: 118.1210 CE2 :: 118.1210 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 :: 8.1390 HA :: 4.4720 HB2 :: 3.0000 HB3 :: 2.8730 HD1 :: 7.0450 HD2 :: 7.0450 HE1 :: 6.7520 HE2 :: 6.7520 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 :: 121.1410 Ave N Shift Values>> N :: 120.52(4.2) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.4 R 0.1 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> CA :: 56.3260 CB :: 33.2160 CG :: 24.6970 CD :: 29.2250 CE :: 42.2180 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 :: 8.1170 HA :: 4.1790 HB2 :: 1.6820 HG2 :: 1.2980 HD2 :: 1.6960 HE2 :: 2.9300 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 :: 122.0420 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.Y108 1.Y108 1.E119 1.E119 C Shift Assignments>> CA :: 54.5000 CB :: 41.3930 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 :: 8.1710 HA :: 4.5340 HB2 :: 2.6450 HB3 :: 2.5210 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 :: 121.1550 Ave N Shift Values>> N :: 120.65(3.86) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> CA :: 61.1530 CB :: 38.8200 CG1 :: 27.3780 CG2 :: 17.5630 CD1 :: 13.1300 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 :: 7.9870 HA :: 4.0840 HB :: 1.8010 HG12 :: 1.3940 HG13 :: 1.0950 HG21 :: 0.8080 HG22 :: 0.8080 HG23 :: 0.8080 HD11 :: 0.7750 HD12 :: 0.7750 HD13 :: 0.7750 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 :: 120.5370 Ave N Shift Values>> N :: 121.46(4.28) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> CA :: 60.9630 CB :: 38.4720 CG1 :: 27.3680 CG2 :: 17.5150 CD1 :: 12.5950 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 :: 8.1340 HA :: 4.0780 HB :: 1.7860 HG12 :: 1.4110 HG13 :: 1.1470 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 HD11 :: 0.8020 HD12 :: 0.8020 HD13 :: 0.8020 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.0230 Ave N Shift Values>> N :: 121.46(4.28) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.36 G 0.06 K 0.06 C Shift Assignments>> CA :: 55.6740 CB :: 31.0520 CG :: 27.2260 CD :: 43.3550 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 :: 8.3220 HA :: 4.3020 HB2 :: 1.7060 HG2 :: 1.5340 HD2 :: 3.1090 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 :: 125.8770 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.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.28 C 0.21 R 0.07 M 0.06 E 0.01 C Shift Assignments>> CA :: 53.5620 CB :: 28.8130 CG :: 33.4000 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 :: 8.4980 HA :: 4.5540 HB2 :: 2.0690 HB3 :: 1.8730 HG2 :: 2.3450 HE21 :: 7.5370 HE22 :: 6.8390 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 :: 123.5620 NE2 :: 112.7110 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.4230 CB :: 32.1110 CG :: 27.4700 CD :: 50.7860 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 :: 4.3940 HB2 :: 2.2540 HB3 :: 1.8840 HG2 :: 1.9330 HD2 :: 3.7750 HD3 :: 3.6690 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.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.2240 CB :: 64.0690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4240 HA :: 4.3910 HB2 :: 3.9770 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 :: 116.1140 Ave N Shift Values>> N :: 116.28(3.52) 1.E117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.06 M 0.05 K 0.05 Q 0.03 C Shift Assignments>> CA :: 57.7240 CB :: 30.0830 CG :: 36.5650 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 :: 8.5300 HA :: 4.1590 HB2 :: 2.0300 HB3 :: 1.9490 HG2 :: 2.2400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.4170 Ave N Shift Values>> N :: 120.67(3.48) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.37 M 0.06 K 0.05 I 0.05 Q 0.03 C Shift Assignments>> CA :: 57.4650 CB :: 30.1410 CG :: 36.4860 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 :: 8.3120 HA :: 4.1360 HB2 :: 1.9380 HG2 :: 2.2150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.8700 Ave N Shift Values>> N :: 120.67(3.48) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 M 0.07 I 0.04 K 0.04 Q 0.02 HN Overlap>> 1.Y108 1.D110 1.Y108 1.D110 C Shift Assignments>> CA :: 57.2130 CB :: 30.2890 CG :: 36.6520 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 :: 8.1020 HA :: 4.1350 HB2 :: 1.9740 HB3 :: 1.9030 HG2 :: 2.2030 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 :: 121.1220 Ave N Shift Values>> N :: 120.67(3.48) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.9770 CB :: 38.4450 CG1 :: 27.7200 CG2 :: 17.5580 CD1 :: 12.8150 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 :: 7.9930 HA :: 3.9720 HB :: 1.8350 HG12 :: 1.4620 HG13 :: 1.1370 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 HD11 :: 0.7880 HD12 :: 0.7880 HD13 :: 0.7880 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 :: 121.6450 Ave N Shift Values>> N :: 121.46(4.28) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> CA :: 61.7430 CB :: 38.2940 CG1 :: 27.7560 CG2 :: 17.5350 CD1 :: 12.7790 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 :: 8.0270 HA :: 4.0090 HB :: 1.8190 HG12 :: 1.4510 HG13 :: 1.1860 HG21 :: 0.8340 HG22 :: 0.8340 HG23 :: 0.8340 HD11 :: 0.7990 HD12 :: 0.7990 HD13 :: 0.7990 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 :: 123.7800 Ave N Shift Values>> N :: 121.46(4.28) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.4 R 0.11 C Shift Assignments>> CA :: 56.3890 CB :: 32.9990 CG :: 24.9810 CD :: 29.1880 CE :: 42.1830 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 :: 8.1080 HA :: 4.2350 HB2 :: 1.7450 HG2 :: 1.3900 HD2 :: 1.6590 HE2 :: 2.9210 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 :: 124.4800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.25 R 0.04 A 0.02 G 0.02 HN Overlap>> 1.W45 1.W45 C Shift Assignments>> CA :: 54.7950 CB :: 42.5340 CG :: 26.9600 CD1 :: 23.3320 CD2 :: 25.0350 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 :: 8.0200 HA :: 4.2780 HB2 :: 1.5570 HG :: 1.5160 HD11 :: 0.8620 HD12 :: 0.8620 HD13 :: 0.8620 HD21 :: 0.8040 HD22 :: 0.8040 HD23 :: 0.8040 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 :: 122.8530 Ave N Shift Values>> N :: 121.86(3.9) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.07 C Shift Assignments>> CA :: 50.3450 CB :: 18.2160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1160 HA :: 4.5320 HB1 :: 1.2870 HB2 :: 1.2870 HB3 :: 1.2870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2480 Ave N Shift Values>> N :: 123.23(3.54) 1.P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.44 C Shift Assignments>> CA :: 61.3600 CB :: 33.3100 CG :: 27.4000 CD :: 50.4200 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 :: 4.6510 HB2 :: 2.2540 HB3 :: 1.8290 HG2 :: 1.9700 HD2 :: 3.7510 HD3 :: 3.5760 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.P126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.5 C 0.49 C Shift Assignments>> CA :: 61.3500 CB :: 30.8000 CG :: 27.3910 CD :: 50.5100 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 :: 4.6530 HB2 :: 2.3020 HB3 :: 1.8400 HG2 :: 1.9910 HD2 :: 3.8000 HD3 :: 3.5770 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.P127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.7360 CB :: 32.0970 CG :: 27.3540 CD :: 50.5240 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 :: 4.3560 HB2 :: 2.2370 HB3 :: 1.8170 HG2 :: 1.9660 HD2 :: 3.7700 HD3 :: 3.5900 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.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.39 R 0.09 HN Overlap>> 1.K98 1.K98 C Shift Assignments>> CA :: 56.1600 CB :: 33.2870 CG :: 24.7770 CD :: 29.2170 CE :: 42.1890 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 :: 8.3220 HA :: 4.2160 HB2 :: 1.7210 HG2 :: 1.3870 HD2 :: 1.6310 HE2 :: 2.9480 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 :: 122.0110 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.1 HN Overlap>> 1.A2 1.A2 C Shift Assignments>> CA :: 56.2310 CB :: 33.2850 CG :: 24.6770 CD :: 29.1470 CE :: 42.2080 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 :: 8.3710 HA :: 4.2450 HB2 :: 1.7470 HG2 :: 1.4060 HD2 :: 1.6680 HE2 :: 2.9500 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 :: 124.4600 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.08 L 0.05 C 0.05 C Shift Assignments>> CA :: 53.7910 CB :: 20.2250 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0000 HA :: 4.0540 HB1 :: 1.2720 HB2 :: 1.2720 HB3 :: 1.2720 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.8090 Ave N Shift Values>> N :: 123.23(3.54) ########################################################################### Overall Results: #Consistent: 124 #Clerical: 0 #Suspicious: 2 #Anomalous: 3 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 128 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 0 C Shift Results: #Consistent: 470 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 855 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 129 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 3 Error Summary: 1.L8 HD21 = -0.2500(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.L8 HD22 = -0.2500(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.L8 HD23 = -0.2500(S), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2668e-04 1.K24 Typing: Mistyped 1.K24 CE = 34.7600(S), Expected = 41.89, Std = 0.8200, ChiSquare = 3.4646e-18 1.R72 NE = 110.7040(A), Expected = 84.63, Std = 1.6800, ChiSquare = 2.5311e-54 1.L75 Typing: Suspicious 1.L75 CG = 21.7930(S), Expected = 26.78, Std = 1.1000, ChiSquare = 5.7977e-06 1.R83 NE = 112.9430(A), Expected = 84.63, Std = 1.6800, ChiSquare = 9.9765e-64 1.R85 NE = 113.2510(A), Expected = 84.63, Std = 1.6800, ChiSquare = 4.4174e-65