Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 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 :: 52.7400 CB :: 19.2900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.3700 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> CA :: 56.9600 CB :: 30.1900 CG :: 36.2600 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 :: 8.3880 HA :: 4.2520 HB2 :: 1.9450 HB3 :: 2.0650 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 :: 119.5950 Ave N Shift Values>> N :: 120.67(3.48) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.22 C 0.08 F 0.08 Y 0.07 L 0.06 C Shift Assignments>> CA :: 53.3400 CB :: 39.2000 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 :: 8.3650 HA :: 4.7200 HB2 :: 2.7700 HB3 :: 2.8570 HD21 :: 7.6270 HD22 :: 6.9470 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 :: 118.8700 ND2 :: 113.2900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.13 Q 0.05 K 0.04 I 0.02 HN Overlap>> 1.K56 1.K56 C Shift Assignments>> CA :: 56.5700 CB :: 30.5900 CG :: 36.2600 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 :: 8.3500 HA :: 4.3650 HB2 :: 1.9620 HB3 :: 2.0900 HG2 :: 2.2520 HG3 :: 2.2970 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 :: 121.4200 Ave N Shift Values>> N :: 120.67(3.48) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.1300 CB :: 64.0800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3610 HA :: 4.6100 HB2 :: 3.8050 HB3 :: 3.8580 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 :: 117.5200 Ave N Shift Values>> N :: 116.28(3.52) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.5950 CB :: 69.0830 CG2 :: 21.7740 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 :: 8.5830 HA :: 4.6500 HB :: 4.4400 HG21 :: 1.3470 HG22 :: 1.3470 HG23 :: 1.3470 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 :: 117.6600 Ave N Shift Values>> N :: 115.42(4.75) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 65.2000 CB :: 31.7200 CG :: 27.9700 CD :: 50.7500 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 :: 4.3000 HB2 :: 1.9600 HB3 :: 2.3800 HG2 :: 2.0100 HG3 :: 2.1600 HD2 :: 3.8300 HD3 :: 3.9670 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.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> CA :: 62.9800 CB :: 37.3100 CG1 :: 29.0500 CG2 :: 17.3900 CD1 :: 13.0250 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.2240 HA :: 4.0040 HB :: 1.9370 HG12 :: 1.1900 HG13 :: 1.3470 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 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 :: 119.2000 Ave N Shift Values>> N :: 121.46(4.28) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.22 K 0.12 I 0.12 Q 0.1 M 0.01 C Shift Assignments>> CA :: 60.2600 CB :: 29.4600 CG :: 35.1700 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 :: 7.9240 HA :: 3.8310 HB2 :: 2.0500 HB3 :: 2.2800 HG2 :: 2.4190 HG3 :: 2.4750 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 :: 121.3000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.23 K 0.23 E 0.11 I 0.04 R 0.03 M 0.01 C Shift Assignments>> CA :: 58.8900 CB :: 28.7300 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 :: 7.7500 HA :: 3.9500 HB2 :: 1.9900 HB3 :: 2.0300 HG2 :: 2.2900 HG3 :: 2.4000 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 :: 115.6900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.38 R 0.08 C Shift Assignments>> CA :: 57.5400 CB :: 42.0600 CG :: 26.9690 CD1 :: 26.0500 CD2 :: 23.0000 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 :: 7.7000 HA :: 3.8000 HB2 :: 1.3300 HB3 :: 1.6000 HG :: 1.6590 HD11 :: 0.6800 HD12 :: 0.6800 HD13 :: 0.6800 HD21 :: 0.4800 HD22 :: 0.4800 HD23 :: 0.4800 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 :: 122.3000 Ave N Shift Values>> N :: 121.86(3.9) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 L 0.17 A 0.04 C Shift Assignments>> CA :: 57.6400 CB :: 40.2100 CG :: 25.2300 CD1 :: 26.8400 CD2 :: 21.4000 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 :: 8.2700 HA :: 3.3600 HB2 :: 0.6600 HB3 :: 1.6700 HG :: 1.9380 HD11 :: 0.6720 HD12 :: 0.6720 HD13 :: 0.6720 HD21 :: 0.1850 HD22 :: 0.1850 HD23 :: 0.1850 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 :: 115.6900 Ave N Shift Values>> N :: 121.86(3.9) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.33 E 0.21 K 0.01 C Shift Assignments>> CA :: 60.2600 CB :: 29.6200 CG :: 37.3500 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 :: 8.3660 HA :: 3.8700 HB2 :: 2.0300 HB3 :: 2.1400 HG2 :: 2.2200 HG3 :: 2.4950 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 :: 118.5000 Ave N Shift Values>> N :: 120.67(3.48) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 H 0.39 C Shift Assignments>> CA :: 59.7400 CB :: 29.7400 CD2 :: 118.9800 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 :: 7.4680 HA :: 4.3500 HB2 :: 3.0200 HB3 :: 3.3200 HD2 :: 6.5980 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 :: 119.6200 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.32 Y 0.27 C Shift Assignments>> CA :: 57.8600 CB :: 37.8000 CD1 :: 131.1600 CD2 :: 131.1600 CE1 :: 129.6500 CE2 :: 129.6500 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 :: 8.2600 HA :: 4.3500 HB2 :: 2.9000 HB3 :: 2.9900 HD1 :: 7.2100 HD2 :: 7.2100 HE1 :: 6.8600 HE2 :: 6.8600 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 :: 118.2200 Ave N Shift Values>> N :: 120.45(4.18) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.37 R 0.07 C Shift Assignments>> CA :: 58.9700 CB :: 41.7500 CG :: 26.9400 CD1 :: 26.5900 CD2 :: 25.5000 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 :: 8.9730 HA :: 3.9380 HB2 :: 1.6500 HB3 :: 2.0300 HG :: 1.6380 HD11 :: 1.0400 HD12 :: 1.0400 HD13 :: 1.0400 HD21 :: 1.0700 HD22 :: 1.0700 HD23 :: 1.0700 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 :: 119.4800 Ave N Shift Values>> N :: 121.86(3.9) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.39 G 0.07 K 0.06 C Shift Assignments>> CA :: 59.4700 CB :: 30.2800 CG :: 28.0600 CD :: 43.3700 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 :: 8.1370 HA :: 4.0400 HB2 :: 1.8560 HB3 :: 1.9930 HG2 :: 1.5600 HG3 :: 1.7950 HD2 :: 3.2040 HD3 :: 3.2660 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 :: 117.8000 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.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.3 R 0.13 M 0.1 Q 0.03 C Shift Assignments>> CA :: 58.3400 CB :: 29.3000 CG :: 31.0600 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 :: 7.8050 HA :: 4.1000 HB2 :: 2.1100 HB3 :: 2.1800 HG2 :: 2.2830 HG3 :: 2.5960 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 :: 116.3900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 G 0.01 C Shift Assignments>> CA :: 57.4100 CB :: 42.1600 CG :: 26.0500 CD1 :: 23.3200 CD2 :: 24.4000 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 :: 8.3800 HA :: 3.9600 HB2 :: 1.2700 HB3 :: 1.8700 HG :: 1.7700 HD11 :: 0.4880 HD12 :: 0.4880 HD13 :: 0.4880 HD21 :: 0.3160 HD22 :: 0.3160 HD23 :: 0.3160 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 :: 120.3000 Ave N Shift Values>> N :: 121.86(3.9) 1.Q20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 E 0.19 K 0.15 Q 0.13 I 0.12 R 0.01 C Shift Assignments>> CA :: 59.8000 CB :: 28.6000 CG :: 35.0700 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 :: 8.4610 HA :: 3.6470 HB2 :: 1.6940 HB3 :: 1.7870 HG2 :: 1.3910(S) HG3 :: 1.9050 HE21 :: 7.5480 HE22 :: 6.6990 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 :: 117.0990 NE2 :: 110.2600 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.43 K 0.07 G 0.05 C Shift Assignments>> CA :: 58.3600 CB :: 30.2100 CG :: 27.7800 CD :: 43.3000 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 :: 7.3100 HA :: 3.9990 HB2 :: 1.8710 HB3 :: 1.9190 HG2 :: 1.6860 HG3 :: 1.8690 HD3 :: 3.1670 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 :: 118.2400 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.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.36 R 0.14 C Shift Assignments>> CA :: 55.7500 CB :: 32.1800 CG :: 25.3200 CD :: 28.6000 CE :: 41.7300 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 :: 7.4280 HA :: 4.3190 HB2 :: 1.5720 HB3 :: 2.1660 HG3 :: 1.5930 HD2 :: 1.5500 HD3 :: 1.7730 HE2 :: 2.8800 HE3 :: 2.9000 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 :: 115.8300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 G 0.23 D 0.21 R 0.13 C 0.05 N 0.03 K 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.2300 CB :: 43.1300 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 :: 7.5000 HA :: 5.4290 HB2 :: 2.5660 HB3 :: 3.1200 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.8000 Ave N Shift Values>> N :: 120.65(3.86) 1.P24 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 :: 64.6100 CB :: 31.6000 CG :: 26.8700 CD :: 51.2900 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 :: 4.2600 HB2 :: 1.5400 HB3 :: 2.1800 HG2 :: 1.4900 HG3 :: 1.9300 HD2 :: 3.2410 HD3 :: 3.8000 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.H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 C 0.4 C Shift Assignments>> CA :: 55.7400 CB :: 29.4500 CD2 :: 120.1400 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 :: 8.9200 HA :: 4.5580 HB2 :: 2.4000 HB3 :: 2.9090 HD2 :: 7.0000 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 :: 116.4700 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.1 P 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> CA :: 47.7900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9100 HA2 :: 3.9280 HA3 :: 4.0820 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3600 Ave N Shift Values>> N :: 109.67(3.87) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 C Shift Assignments>> CA :: 59.2000 CB :: 37.6000 CD1 :: 130.5100 CD2 :: 130.5100 CE1 :: 131.2800 CE2 :: 131.2800 CZ :: 129.4600 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 :: 10.5360 HA :: 4.4600 HB2 :: 2.5200 HB3 :: 2.6030 HD1 :: 6.9980 HD2 :: 6.9980 HE1 :: 7.1570 HE2 :: 7.1570 HZ :: 7.0500 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 :: 125.8800 Ave N Shift Values>> N :: 120.45(4.18) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> CA :: 56.9000 CB :: 38.9000 CD1 :: 131.9100 CD2 :: 131.9100 CE1 :: 130.4300 CE2 :: 130.4300 CZ :: 127.7100 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 :: 10.5800 HA :: 5.0390 HB2 :: 2.6700 HB3 :: 3.6400 HD1 :: 7.2500 HD2 :: 7.2500 HE1 :: 7.2060 HE2 :: 7.2060 HZ :: 7.3300 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.9000 Ave N Shift Values>> N :: 120.45(4.18) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.17 C 0.09 L 0.08 V 0.03 T 0.01 I 0.01 C Shift Assignments>> CA :: 55.1890 CB :: 20.1330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.0390 HA :: 4.2150 HB1 :: 1.3200 HB2 :: 1.3200 HB3 :: 1.3200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.6100 Ave N Shift Values>> N :: 123.23(3.54) 1.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.25 C Shift Assignments>> CA :: 54.3400 CB :: 40.2700 CD1 :: 132.7900 CD2 :: 132.7900 CE1 :: 131.0100 CE2 :: 131.0100 CZ :: 129.6500 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7300 HA :: 5.3130 HB2 :: 2.7400 HB3 :: 3.2200 HD1 :: 7.3400 HD2 :: 7.3400 HE1 :: 7.3850 HE2 :: 7.3850 HZ :: 7.3200 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 :: 113.3400 Ave N Shift Values>> N :: 120.45(4.18) 1.P31 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>> CA :: 62.9800 CB :: 32.1400 CG :: 27.2100 CD :: 51.0200 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 :: 4.3200 HB2 :: 1.6790 HB3 :: 2.2920 HG2 :: 2.0380 HG3 :: 2.0980 HD2 :: 3.7100 HD3 :: 4.0500 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.V32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> CA :: 63.4500 CB :: 32.1000 CG1 :: 22.0400 CG2 :: 21.2200 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 :: 8.5300 HA :: 3.5350 HB :: 1.0300 HG11 :: -0.1600(S) HG12 :: -0.1600(S) HG13 :: -0.1600(S) HG21 :: 0.6660 HG22 :: 0.6660 HG23 :: 0.6660 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 :: 125.5300 Ave N Shift Values>> N :: 121.14(4.54) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.32 A 0.01 C Shift Assignments>> CA :: 58.9270 CB :: 71.8200 CG2 :: 21.2270 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.6500 HA :: 4.6740 HB :: 4.5380 HG21 :: 1.1610 HG22 :: 1.1610 HG23 :: 1.1610 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 :: 114.7000 Ave N Shift Values>> N :: 115.42(4.75) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 F 0.2 Y 0.18 L 0.13 N 0.11 C 0.1 I 0.02 K 0.01 C Shift Assignments>> CA :: 55.8100 CB :: 39.9360 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 :: 8.7140 HA :: 4.8070 HB2 :: 2.5970 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 :: 121.7000 Ave N Shift Values>> N :: 120.65(3.86) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 C 0.01 I 0.01 C Shift Assignments>> CA :: 54.0330 CB :: 18.2200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6200 HA :: 4.0800 HB1 :: 1.3640 HB2 :: 1.3640 HB3 :: 1.3640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.3400 Ave N Shift Values>> N :: 123.23(3.54) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.0800 CB :: 39.4500 CG1 :: 27.2400 CG2 :: 17.3900 CD1 :: 13.8400 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 :: 7.0500 HA :: 4.2720 HB :: 1.9490 HG12 :: 1.2520 HG13 :: 1.4410 HG21 :: 0.9100 HG22 :: 0.9100 HG23 :: 0.9100 HD11 :: 0.9450 HD12 :: 0.9450 HD13 :: 0.9450 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.7200 Ave N Shift Values>> N :: 121.46(4.28) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 G 0.04 C 0.01 M 0.01 C Shift Assignments>> CA :: 49.1120 CB :: 19.8600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8100 HA :: 4.8700 HB1 :: 0.8200 HB2 :: 0.8200 HB3 :: 0.8200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5000 Ave N Shift Values>> N :: 123.23(3.54) 1.P38 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>> CA :: 64.1800 CB :: 31.5900 CG :: 27.7800 CD :: 49.9300 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 :: 4.5480 HB2 :: 1.9490 HB3 :: 2.3410 HG2 :: 2.0600 HG3 :: 2.1490 HD2 :: 3.5320 HD3 :: 3.7320 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.G39 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>> CA :: 45.9200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.0800 HA2 :: 3.9040 HA3 :: 4.2680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.1400 Ave N Shift Values>> N :: 109.67(3.87) 1.Y40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 63.8600 CB :: 38.3300 CD1 :: 133.1500 CD2 :: 133.1500 CE1 :: 117.4300 CE2 :: 117.4300 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 :: 8.4190 HA :: 3.5800 HB2 :: 2.8220 HB3 :: 3.2790 HD1 :: 5.8750(S) HD2 :: 5.8750(S) HE1 :: 6.2060 HE2 :: 6.2060 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 :: 125.9500 Ave N Shift Values>> N :: 120.52(4.2) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.3700 CB :: 62.1800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.8800 HA :: 4.2700 HB2 :: 3.9710 HB3 :: 4.1060 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 :: 112.4500 Ave N Shift Values>> N :: 116.28(3.52) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.37 Q 0.15 E 0.01 K 0.01 C Shift Assignments>> CA :: 56.5000 CB :: 32.9400 CG :: 32.1600 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 :: 7.5200 HA :: 4.3850 HB2 :: 2.1200 HB3 :: 2.1500 HG2 :: 2.5400 HG3 :: 2.6500 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 :: 118.9200 Ave N Shift Values>> N :: 120.09(3.57) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.Y90 1.Y90 C Shift Assignments>> CA :: 61.8800 CB :: 40.5800 CG1 :: 28.0600 CG2 :: 17.3900 CD1 :: 12.4700 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 :: 7.4260 HA :: 4.0600 HB :: 1.7260 HG12 :: 1.2630 HG13 :: 1.5920 HG21 :: 0.9370 HG22 :: 0.9370 HG23 :: 0.9370 HD11 :: 0.9050 HD12 :: 0.9050 HD13 :: 0.9050 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 :: 118.3600 Ave N Shift Values>> N :: 121.46(4.28) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 A 0.04 C Shift Assignments>> CA :: 57.0300 CB :: 34.7600 CG2 :: 16.0300 CD1 :: 9.1970 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 :: 8.3620 HA :: 3.9680 HB :: 1.2150 HG12 :: 0.8280 HG13 :: 0.9250 HG21 :: 0.4690 HG22 :: 0.4690 HG23 :: 0.4690 HD11 :: 0.6460 HD12 :: 0.6460 HD13 :: 0.6460 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 :: 122.5800 Ave N Shift Values>> N :: 121.46(4.28) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.2 C Shift Assignments>> CA :: 56.5600 CB :: 32.6800 CG :: 24.7800 CD :: 28.0600 CE :: 42.0000 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 :: 7.9800 HA :: 4.0700 HB3 :: 1.4540 HG2 :: 1.1960 HG3 :: 1.3080 HD3 :: 1.5320 HE3 :: 2.9150 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 :: 124.6900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.65 C 0.34 C Shift Assignments>> CA :: 52.3700 CB :: 30.0000 CD2 :: 120.7300 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 :: 8.1580 HA :: 5.1220 HB2 :: 3.1200 HB3 :: 3.2200 HD2 :: 7.1000 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 :: 116.9500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P47 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 :: 62.8800 CB :: 32.8300 CG :: 27.5100 CD :: 50.4700 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 :: 4.1350 HB2 :: 2.1400 HB3 :: 2.3500 HG2 :: 1.9190 HG3 :: 2.0860 HD2 :: 3.4050 HD3 :: 3.6820 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.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.31 A 0.04 C Shift Assignments>> CA :: 53.8400 CB :: 31.7500 CG :: 30.7000 CE :: 14.1100 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 :: 8.5870 HA :: 5.0200 HB2 :: 1.2400 HB3 :: 2.1630 HG2 :: 2.1200 HG3 :: 3.0100 HE1 :: 2.0600 HE2 :: 2.0600 HE3 :: 2.0600 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.0900 Ave N Shift Values>> N :: 120.09(3.57) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 G 0.21 R 0.21 D 0.11 C 0.04 F 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 53.6500 CB :: 43.9100 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 :: 7.4080 HA :: 4.8010 HB3 :: 2.4040 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 :: 119.3400 Ave N Shift Values>> N :: 120.65(3.86) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> CA :: 60.0700 CB :: 39.8500 CD1 :: 132.5600 CD2 :: 132.5600 CE1 :: 130.6200 CE2 :: 130.6200 CZ :: 128.8800 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.1680 HA :: 4.7570 HB2 :: 3.1020 HB3 :: 3.1970 HD1 :: 7.4130 HD2 :: 7.4130 HE1 :: 7.3300 HE2 :: 7.3300 HZ :: 6.9760 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 :: 118.7300 Ave N Shift Values>> N :: 120.45(4.18) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 P 0.1 C 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> CA :: 47.8080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7790 HA2 :: 3.9040 HA3 :: 4.1100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8400 Ave N Shift Values>> N :: 109.67(3.87) 1.T52 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 :: 67.1560 CB :: 68.1350 CG2 :: 22.0470 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 :: 8.3620 HA :: 4.0160 HB :: 4.3080 HG21 :: 1.2430 HG22 :: 1.2430 HG23 :: 1.2430 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.3500 Ave N Shift Values>> N :: 115.42(4.75) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 M 0.26 C Shift Assignments>> CA :: 60.3700 CB :: 34.7700 CG :: 32.9800 CE :: 17.4000 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 :: 7.8090 HA :: 4.4790 HB2 :: 2.4160 HB3 :: 2.4670 HG2 :: 2.8180 HG3 :: 2.8490 HE1 :: 1.5540 HE2 :: 1.5540 HE3 :: 1.5540 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 :: 120.5900 Ave N Shift Values>> N :: 120.09(3.57) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.41 R 0.11 C Shift Assignments>> CA :: 60.1100 CB :: 31.5600 CG :: 24.7800 CD :: 28.7800 CE :: 42.0000 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 :: 8.5380 HA :: 4.0000 HB2 :: 2.0510 HB3 :: 2.3450 HG2 :: 1.4940 HG3 :: 1.6080 HD2 :: 1.7170 HD3 :: 1.8380 HE2 :: 2.9650 HE3 :: 3.0000 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 :: 120.1900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.09 I 0.07 K 0.02 N 0.02 C Shift Assignments>> CA :: 57.5900 CB :: 40.0300 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 :: 8.1970 HA :: 4.4250 HB2 :: 2.6790 HB3 :: 3.0080 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 :: 119.5000 Ave N Shift Values>> N :: 120.65(3.86) 1.K56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 K 0.27 R 0.07 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> CA :: 60.6800 CB :: 32.5000 CG :: 26.6800 CD :: 28.7900 CE :: 41.3600 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 :: 8.2720 HA :: 3.8800 HB2 :: 0.8800(S) HB3 :: 2.0800 HG2 :: 1.0900 HG3 :: 1.8800 HD2 :: 1.4400 HD3 :: 1.6160 HE2 :: 2.2700(S) HE3 :: 2.5100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.D115 1.D115 C Shift Assignments>> CA :: 66.2700 CB :: 38.8300 CG1 :: 28.5000 CG2 :: 18.4900 CD1 :: 15.4800 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 :: 8.4910 HA :: 4.1300 HB :: 2.3400 HG12 :: 1.1070 HG13 :: 2.6800(S) HG21 :: 1.1050 HG22 :: 1.1050 HG23 :: 1.1050 HD11 :: 0.9560 HD12 :: 0.9560 HD13 :: 0.9560 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 :: 121.0300 Ave N Shift Values>> N :: 121.46(4.28) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 66.2800 CB :: 31.8700 CG1 :: 22.8670 CG2 :: 20.9530 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 :: 8.5640 HA :: 3.7050 HB :: 2.2480 HG11 :: 1.1740 HG12 :: 1.1740 HG13 :: 1.1740 HG21 :: 1.0130 HG22 :: 1.0130 HG23 :: 1.0130 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 :: 121.8800 Ave N Shift Values>> N :: 121.14(4.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.1050 CB :: 19.0400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8700 HA :: 4.3460 HB1 :: 1.4860 HB2 :: 1.4860 HB3 :: 1.4860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.6300 Ave N Shift Values>> N :: 123.23(3.54) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.18 E 0.09 Y 0.08 F 0.06 M 0.06 D 0.04 L 0.01 C Shift Assignments>> CA :: 53.6600 CB :: 37.2200 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 :: 8.2900 HA :: 4.6560 HB2 :: 2.5890 HB3 :: 3.3450 HD21 :: 7.5150 HD22 :: 6.6160 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 :: 117.4000 ND2 :: 110.2100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.39 M 0.08 I 0.05 K 0.01 C Shift Assignments>> CA :: 57.5500 CB :: 30.6400 CG :: 37.0800 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 :: 4.1200 HB2 :: 1.4550 HB3 :: 1.9290 HG2 :: 2.0690 HG3 :: 2.1750 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 :: 114.5600 Ave N Shift Values>> N :: 120.67(3.48) 1.Y62 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 :: 57.5900 CB :: 39.2300 CD1 :: 132.5600 CD2 :: 132.5600 CE1 :: 118.7800 CE2 :: 118.7800 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 :: 7.6300 HA :: 4.9690 HB2 :: 2.8460 HB3 :: 2.9130 HD1 :: 7.1200 HD2 :: 7.1200 HE1 :: 7.1500 HE2 :: 7.1500 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 :: 116.4000 Ave N Shift Values>> N :: 120.52(4.2) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.14 C Shift Assignments>> CA :: 55.9800 CB :: 32.7000 CG :: 24.7800 CD :: 28.3300 CE :: 41.7300 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.5600 HA :: 4.3610 HB3 :: 1.9720 HG2 :: 1.5550 HG3 :: 1.6020 HD3 :: 1.7010 HE3 :: 3.0600 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 :: 122.3000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> CA :: 56.3700 CB :: 66.5400 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6700 HA :: 4.7300 HB2 :: 3.9650 HB3 :: 4.2820 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 :: 109.6400 Ave N Shift Values>> N :: 116.28(3.52) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.86 C 0.13 C Shift Assignments>> CA :: 65.6800 CB :: 31.7500 CG1 :: 23.1400 CG2 :: 21.5000 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 :: 3.7600 HB :: 2.2100 HG11 :: 1.1290 HG12 :: 1.1290 HG13 :: 1.1290 HG21 :: 1.0680 HG22 :: 1.0680 HG23 :: 1.0680 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.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.1300 CB :: 68.6180 CG2 :: 22.0470 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 :: 9.2340 HA :: 3.7960 HB :: 4.1910 HG21 :: 1.2950 HG22 :: 1.2950 HG23 :: 1.2950 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 :: 121.7300 Ave N Shift Values>> N :: 115.42(4.75) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.32 M 0.07 I 0.06 C Shift Assignments>> CA :: 59.5300 CB :: 31.3000 CG :: 36.8000 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 :: 7.7200 HA :: 4.1900 HB3 :: 2.4570 HG3 :: 2.4600 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.3200 Ave N Shift Values>> N :: 120.67(3.48) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 C 0.26 C Shift Assignments>> CA :: 60.9600 CB :: 40.1500 CD1 :: 132.3000 CD2 :: 132.3000 CE1 :: 131.1400 CE2 :: 131.1400 CZ :: 128.8800 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.0550 HA :: 3.6950 HB2 :: 2.1300 HB3 :: 3.0160 HD1 :: 6.7730 HD2 :: 6.7730 HE1 :: 7.1100 HE2 :: 7.1100 HZ :: 6.8680 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 :: 122.1600 Ave N Shift Values>> N :: 120.45(4.18) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 K 0.33 R 0.07 C Shift Assignments>> CA :: 60.3700 CB :: 32.6300 CG :: 26.0600 CD :: 29.8800 CE :: 41.3600 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 :: 8.8970 HA :: 3.5500 HB3 :: 1.9160 HG2 :: 1.1800 HG3 :: 1.5010 HD3 :: 1.4560 HE2 :: 2.3800 HE3 :: 2.4700 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 :: 119.3500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.39 I 0.03 C 0.02 C Shift Assignments>> CA :: 54.9900 CB :: 17.9460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8300 HA :: 4.2070 HB1 :: 1.5700 HB2 :: 1.5700 HB3 :: 1.5700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9100 Ave N Shift Values>> N :: 123.23(3.54) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 I 0.07 L 0.07 N 0.04 C Shift Assignments>> CA :: 57.2100 CB :: 39.4400 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 :: 7.3500 HA :: 4.6400 HB3 :: 2.8500 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 :: 121.5900 Ave N Shift Values>> N :: 120.65(3.86) 1.F72 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 :: 60.7300 CB :: 39.0000 CD1 :: 131.3600 CD2 :: 131.3600 CE1 :: 130.8200 CE2 :: 130.8200 CZ :: 130.9300 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 :: 8.0800 HA :: 3.9450 HB2 :: 2.5100 HB3 :: 2.8300 HD1 :: 6.8800 HD2 :: 6.8800 HE1 :: 7.3300 HE2 :: 7.3300 HZ :: 7.1700 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 :: 121.1000 Ave N Shift Values>> N :: 120.45(4.18) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.07 C Shift Assignments>> CA :: 59.7000 CB :: 32.8600 CG :: 24.9600 CD :: 29.3300 CE :: 42.1800 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 :: 8.7990 HA :: 3.3880 HB2 :: 1.8500 HB3 :: 1.9500 HG2 :: 1.2020 HG3 :: 1.4840 HD2 :: 1.5880 HD3 :: 1.6580 HE2 :: 2.9200 HE3 :: 3.0200 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 :: 120.2000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.38 R 0.16 G 0.02 C Shift Assignments>> CA :: 57.9400 CB :: 42.6800 CG :: 27.5100 CD1 :: 25.8700 CD2 :: 23.1400 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 :: 7.7460 HA :: 4.1230 HB2 :: 1.6050 HB3 :: 2.1650 HG :: 1.4430 HD11 :: 0.8610 HD12 :: 0.8610 HD13 :: 0.8610 HD21 :: 1.0640 HD22 :: 1.0640 HD23 :: 1.0640 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 :: 120.3300 Ave N Shift Values>> N :: 121.86(3.9) 1.M75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 M 0.32 I 0.03 C Shift Assignments>> CA :: 60.0300 CB :: 34.1500 CG :: 31.2500 CE :: 17.4000 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 :: 7.8200 HA :: 3.6100 HB2 :: 1.4800 HB3 :: 2.1800 HG2 :: 1.6300 HG3 :: 2.3900 HE1 :: 0.8910 HE2 :: 0.8910 HE3 :: 0.8910 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 :: 116.5300 Ave N Shift Values>> N :: 120.09(3.57) 1.C76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.47 I 0.39 C 0.1 C Shift Assignments>> CA :: 63.9000 CB :: 27.7000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3300 HA :: 3.6800 HB2 :: 2.1660 HB3 :: 2.5630 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 :: 118.7800 Ave N Shift Values>> N :: 120.17(4.64) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.07 L 0.06 N 0.02 C Shift Assignments>> CA :: 57.5800 CB :: 39.5430 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 :: 9.4600 HA :: 4.1950 HB2 :: 2.5030 HB3 :: 2.7400 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 :: 123.0000 Ave N Shift Values>> N :: 120.65(3.86) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.18 Y 0.18 F 0.14 E 0.07 D 0.07 M 0.03 L 0.02 I 0.02 C Shift Assignments>> CA :: 55.3100 CB :: 37.9500 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 :: 9.0800 HA :: 4.3300 HB2 :: 2.6800 HB3 :: 3.0700 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 :: 120.7000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.4 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.9800 CB :: 18.7660 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3300 HA :: 4.5020 HB1 :: 1.6740 HB2 :: 1.6740 HB3 :: 1.6740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.1700 Ave N Shift Values>> N :: 123.23(3.54) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.48 A 0.01 HN Overlap>> 1.T81 1.T81 C Shift Assignments>> CA :: 57.4400 CB :: 33.7700 CG :: 32.3400 CE :: 16.5790 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 :: 7.9900 HA :: 4.3290 HB2 :: 1.9500 HB3 :: 2.0800 HG2 :: 1.2700 HG3 :: 2.3300 HE1 :: 1.7850 HE2 :: 1.7850 HE3 :: 1.7850 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 :: 116.5300 Ave N Shift Values>> N :: 120.09(3.57) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.M80 1.M80 C Shift Assignments>> CA :: 65.0790 CB :: 69.0040 CG2 :: 20.6800 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 :: 7.9620 HA :: 4.2610 HB :: 4.2680 HG21 :: 1.1450 HG22 :: 1.1450 HG23 :: 1.1450 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.4700 Ave N Shift Values>> N :: 115.42(4.75) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> CA :: 61.5400 CB :: 40.3600 CD1 :: 133.2000 CD2 :: 133.2000 CE1 :: 118.2000 CE2 :: 118.2000 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 :: 8.2620 HA :: 4.0600 HB2 :: 2.8200 HB3 :: 2.8500 HD1 :: 6.8800 HD2 :: 6.8800 HE1 :: 6.6650 HE2 :: 6.7650 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.6400 Ave N Shift Values>> N :: 120.52(4.2) 1.N83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.17 K 0.07 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.7300 CB :: 41.2800 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 :: 7.3600 HA :: 4.7130 HB2 :: 3.0100 HB3 :: 3.2020 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 :: 113.2000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.32 K 0.06 G 0.05 L 0.01 C Shift Assignments>> CA :: 54.9900 CB :: 29.8200 CG :: 27.5000 CD :: 43.0900 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 :: 8.6500 HA :: 4.4060 HB2 :: 1.8210 HB3 :: 1.9870 HG2 :: 1.7620 HG3 :: 1.8630 HD3 :: 3.2680 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 :: 119.6300 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.P85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> CA :: 63.8900 CB :: 31.7100 CG :: 27.5000 CD :: 50.4700 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 :: 2.7190(S) HB3 :: 1.5720 HG2 :: 1.5650 HG3 :: 1.9150 HD2 :: 3.5130 HD3 :: 3.7320 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.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 L 0.11 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> CA :: 53.6500 CB :: 39.8400 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 :: 7.8140 HA :: 4.5600 HB2 :: 2.5880 HB3 :: 2.7990 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.6600 Ave N Shift Values>> N :: 120.65(3.86) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 T 0.25 C Shift Assignments>> CA :: 60.9810 CB :: 73.7820 CG2 :: 22.5940 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 :: 7.8200 HA :: 4.6150 HB :: 4.5680 HG1 :: 5.4500 HG21 :: 1.5080 HG22 :: 1.5080 HG23 :: 1.5080 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.6400 Ave N Shift Values>> N :: 115.42(4.75) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 65.3600 CB :: 31.6150 CG1 :: 20.0800 CG2 :: 20.6800 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 :: 8.6600 HA :: 3.8160 HB :: 1.9150 HG11 :: 0.6880 HG12 :: 0.6880 HG13 :: 0.6880 HG21 :: 0.6610 HG22 :: 0.6610 HG23 :: 0.6610 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 :: 119.4900 Ave N Shift Values>> N :: 121.14(4.54) 1.Y89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.67 C 0.32 C Shift Assignments>> CA :: 60.5500 CB :: 39.4100 CD1 :: 132.1800 CD2 :: 132.1800 CE1 :: 118.7800 CE2 :: 118.7800 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>> HA :: 3.9390 HB2 :: 2.5300 HB3 :: 3.0400 HD1 :: 6.6680 HD2 :: 6.6680 HE1 :: 6.4200 HE2 :: 6.4200 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) 1.Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 Y 0.43 HN Overlap>> 1.I43 1.I43 C Shift Assignments>> CA :: 61.8300 CB :: 40.1400 CD1 :: 134.7000 CD2 :: 134.7000 CE1 :: 118.2000 CE2 :: 118.2000 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 :: 7.4700 HA :: 3.7590 HB2 :: 2.6200 HB3 :: 3.2200 HD1 :: 7.1580 HD2 :: 7.1580 HE1 :: 7.0000 HE2 :: 7.0000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.3600 Ave N Shift Values>> N :: 120.52(4.2) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.44 R 0.03 C Shift Assignments>> CA :: 60.4400 CB :: 33.0500 CG :: 24.7800 CD :: 29.7000 CE :: 41.7300 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 :: 8.0450 HA :: 3.9900 HB2 :: 1.9150 HB3 :: 2.0200 HG2 :: 1.5040 HG3 :: 1.6090 HD2 :: 1.6320 HD3 :: 1.7850 HE3 :: 2.9770 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.2500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.42 R 0.13 C Shift Assignments>> CA :: 57.5400 CB :: 41.8300 CG :: 27.5100 CD1 :: 26.6900 CD2 :: 23.4100 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 :: 8.6530 HA :: 4.4390 HB2 :: 1.8480 HB3 :: 2.0210 HG :: 1.9030 HD11 :: 1.1720 HD12 :: 1.1720 HD13 :: 1.1720 HD21 :: 1.2530 HD22 :: 1.2530 HD23 :: 1.2530 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 :: 120.1900 Ave N Shift Values>> N :: 121.86(3.9) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.29 C 0.07 L 0.03 V 0.02 I 0.02 C Shift Assignments>> CA :: 55.4000 CB :: 19.5870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0800 HA :: 3.8300 HB1 :: 1.5510 HB2 :: 1.5510 HB3 :: 1.5510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3200 Ave N Shift Values>> N :: 123.23(3.54) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.42 R 0.06 C Shift Assignments>> CA :: 60.0700 CB :: 33.1100 CG :: 25.0500 CD :: 29.8700 CE :: 41.9100 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 :: 8.0400 HA :: 3.7500 HB2 :: 1.7830 HB3 :: 1.9020 HG2 :: 1.3700 HG3 :: 1.4300 HD2 :: 1.7600 HD3 :: 1.8100 HE3 :: 3.0700 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 :: 117.0300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.43 R 0.07 C Shift Assignments>> CA :: 59.6300 CB :: 33.1800 CG :: 25.0500 CD :: 29.7000 CE :: 42.0000 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 :: 7.7700 HA :: 4.2300 HB2 :: 2.1100 HB3 :: 2.1830 HG2 :: 1.5170 HG3 :: 1.7270 HD3 :: 1.8390 HE3 :: 3.0790 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 :: 118.7800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 66.1400 CB :: 38.1200 CG1 :: 29.4200 CG2 :: 17.9400 CD1 :: 14.3900 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 :: 9.2400 HA :: 3.9680 HB :: 2.0200 HG12 :: 1.4270 HG13 :: 1.8170 HG21 :: 1.1000 HG22 :: 1.1000 HG23 :: 1.1000 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 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 :: 119.5700 Ave N Shift Values>> N :: 121.46(4.28) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 R 0.01 C Shift Assignments>> CA :: 58.5400 CB :: 41.1600 CG :: 26.6900 CD1 :: 26.1400 CD2 :: 23.4000 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 :: 8.4230 HA :: 4.1700 HB2 :: 1.5040 HB3 :: 1.7700 HG :: 1.1380 HD11 :: 0.6360 HD12 :: 0.6360 HD13 :: 0.6360 HD21 :: 0.4150 HD22 :: 0.4150 HD23 :: 0.4150 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 :: 125.3900 Ave N Shift Values>> N :: 121.86(3.9) 1.H98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.4 C Shift Assignments>> CA :: 59.7600 CB :: 30.4800 CD2 :: 120.3400 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 :: 7.4020 HA :: 4.3480 HB2 :: 3.2450 HB3 :: 3.2890 HD2 :: 7.1730 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 :: 116.1400 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 C Shift Assignments>> CA :: 54.9900 CB :: 18.4930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3450 HA :: 4.1990 HB1 :: 1.5970 HB2 :: 1.5970 HB3 :: 1.5970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8900 Ave N Shift Values>> N :: 123.23(3.54) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.7200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.6100 HA2 :: 3.6130 HA3 :: 3.7040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1900 Ave N Shift Values>> N :: 109.67(3.87) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 F 0.49 C Shift Assignments>> CA :: 61.7900 CB :: 37.3400 CD1 :: 130.4300 CD2 :: 130.4300 CE1 :: 131.3700 CE2 :: 131.2700 CZ :: 129.6500 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 :: 8.6350 HA :: 4.2300 HB2 :: 3.1950 HB3 :: 3.3800 HD1 :: 7.4400 HD2 :: 7.4400 HE1 :: 7.3220 HE2 :: 7.3220 HZ :: 7.3060 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 :: 122.3000 Ave N Shift Values>> N :: 120.45(4.18) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.05 C Shift Assignments>> CA :: 59.6600 CB :: 32.1500 CG :: 24.7800 CD :: 29.1500 CE :: 41.7300 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 :: 7.8560 HA :: 4.0950 HB3 :: 1.8880 HG2 :: 1.4120 HG3 :: 1.5210 HD3 :: 1.6950 HE3 :: 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 :: 120.1900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 M 0.29 C Shift Assignments>> CA :: 58.5000 CB :: 32.9500 CG :: 33.9800 CE :: 16.3700 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 :: 7.8390 HA :: 3.8600 HB2 :: 1.7700 HB3 :: 2.0300 HG2 :: 2.1100 HG3 :: 2.1800 HE1 :: 1.8000 HE2 :: 1.8000 HE3 :: 1.8000 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 :: 118.9300 Ave N Shift Values>> N :: 120.09(3.57) 1.M104 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.5 M 0.46 A 0.02 C Shift Assignments>> CA :: 57.6900 CB :: 34.4300 CG :: 32.0700 CE :: 17.3900 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 :: 3.7400 HB2 :: 1.5300 HB3 :: 1.6800 HG2 :: 0.7560(S) HG3 :: 2.0010 HE1 :: 1.3140 HE2 :: 1.3140 HE3 :: 1.3140 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.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 60.5300 CB :: 65.0700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) N Shift Assignments>> N :: 120.6100 Ave N Shift Values>> N :: 116.28(3.52) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 R 0.29 K 0.17 C Shift Assignments>> CA :: 56.7300 CB :: 32.5600 CD :: 26.6000 CE :: 41.9000 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 :: 3.8500 HD2 :: 1.6200 HD3 :: 1.9500 HE3 :: 2.9600 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.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 H 0.17 K 0.14 R 0.14 E 0.14 C 0.13 M 0.05 I 0.01 C Shift Assignments>> CA :: 55.8300 CB :: 29.5300 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 :: 8.0900 HA :: 3.9800 HB2 :: 1.9200 HB3 :: 1.9700 HG3 :: 2.1700 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 :: 120.6100 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.4000 CB :: 19.0700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1890 HA :: 4.2770 HB1 :: 1.4200 HB2 :: 1.4200 HB3 :: 1.4200 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.2500 Ave N Shift Values>> N :: 123.23(3.54) 1.A109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.82 M 0.08 L 0.04 C 0.04 C Shift Assignments>> CA :: 53.5600 CB :: 20.1330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8980 HA :: 4.2670 HB1 :: 1.4760 HB2 :: 1.4760 HB3 :: 1.4760 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 110.9100(S) Ave N Shift Values>> N :: 123.23(3.54) 1.L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.63 C 0.28 R 0.04 A 0.01 G 0.01 C Shift Assignments>> CA :: 55.4700 CB :: 42.2900 CG :: 26.9600 CD1 :: 25.0500 CD2 :: 23.4100 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>> HA :: 4.3460 HB2 :: 1.5800 HB3 :: 1.6500 HG :: 1.5480 HD11 :: 0.8830 HD12 :: 0.8830 HD13 :: 0.8830 HD21 :: 0.8460 HD22 :: 0.8460 HD23 :: 0.8460 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) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.26 F 0.08 D 0.06 K 0.06 C 0.06 G 0.05 Y 0.05 C Shift Assignments>> CA :: 56.7000 CB :: 43.4100 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>> HA :: 4.3200 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 :: 110.7700 Ave N Shift Values>> N :: 121.86(3.9) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.3900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA3 :: 4.0000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.08 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> CA :: 53.2900 CB :: 39.3200 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 :: 4.7600 HB2 :: 2.7500 HB3 :: 2.8550 HD21 :: 7.5880 HD22 :: 6.9340 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>> ND2 :: 112.9400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E114 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 0.04 I 0.04 Q 0.03 C Shift Assignments>> CA :: 57.1500 CB :: 30.2400 CG :: 36.5600 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 :: 8.5780 HA :: 4.2930 HB2 :: 1.9560 HB3 :: 2.0950 HG3 :: 2.2760 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 :: 121.2400 Ave N Shift Values>> N :: 120.67(3.48) 1.D115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.I57 1.I57 C Shift Assignments>> CA :: 54.4500 CB :: 41.2300 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 :: 8.4520 HA :: 4.7200 HB2 :: 2.6650 HB3 :: 2.7720 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 :: 121.1000 Ave N Shift Values>> N :: 120.65(3.86) 1.T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.4210 CB :: 69.5310 CG2 :: 21.5000 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 :: 8.0260 HA :: 4.3550 HB :: 4.3950 HG21 :: 1.3050 HG22 :: 1.3050 HG23 :: 1.3050 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 :: 113.6200 Ave N Shift Values>> N :: 115.42(4.75) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.1 L 0.06 C 0.05 V 0.01 C Shift Assignments>> CA :: 54.1400 CB :: 20.1600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9450 HA :: 4.1600 HB1 :: 1.3740 HB2 :: 1.3740 HB3 :: 1.3740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 113.8200 Ave N Shift Values>> N :: 123.23(3.54) 2.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.1600 CB :: 69.8400 CG2 :: 21.6800 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>> HA :: 4.4190 HB :: 4.3440 HG21 :: 1.2900 HG22 :: 1.2900 HG23 :: 1.2900 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) 2.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.5500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA3 :: 4.0600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.3200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA3 :: 4.0300 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 2.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.49 C 0.39 R 0.09 C Shift Assignments>> CA :: 56.1400 CB :: 33.3300 CG :: 24.6800 CD :: 29.1800 CE :: 42.2200 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 :: 4.4060 HB2 :: 1.8200 HB3 :: 1.9050 HG3 :: 1.5030 HD3 :: 1.7500 HE3 :: 3.0700 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) 2.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.9 M 0.08 C Shift Assignments>> CA :: 50.7100 CB :: 18.2200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3170 HA :: 4.6420 HB1 :: 1.4220 HB2 :: 1.4220 HB3 :: 1.4220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.1500 CB :: 32.2000 CG :: 27.5000 CD :: 50.5900 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 :: 4.4910 HB2 :: 1.9620 HB3 :: 2.3640 HG3 :: 2.1050 HD2 :: 3.7230 HD3 :: 3.8630 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.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.46 C 0.37 G 0.07 K 0.07 C Shift Assignments>> CA :: 56.1800 CB :: 30.8000 CD :: 43.4800 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 :: 8.4090 HA :: 4.3620 HB2 :: 1.8430 HB3 :: 1.9130 HG3 :: 1.7230 HD3 :: 3.2880 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) 2.ALY8 Overall Status: Residue type ALY not supported. 2.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Q 0.46 K 0.35 E 0.07 M 0.05 R 0.01 I 0.01 P 0.01 C Shift Assignments>> CB :: 29.5000 CG :: 33.8600 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 :: 8.4270 HA :: 4.3950 HB2 :: 2.0350 HB3 :: 2.1490 HG3 :: 2.4170 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) 2.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.72 C 0.21 G 0.03 A 0.02 C Shift Assignments>> CA :: 55.1600 CB :: 42.6400 CD1 :: 24.9880 CD2 :: 23.5100 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 :: 8.2880 HA :: 4.4020 HB2 :: 1.6590 HB3 :: 1.7000 HG :: 1.5900 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 HD21 :: 0.9350 HD22 :: 0.9350 HD23 :: 0.9350 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.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> CA :: 52.5700 CB :: 19.3500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3620 HA :: 4.4430 HB1 :: 1.4690 HB2 :: 1.4690 HB3 :: 1.4690 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.7700 CB :: 69.9900 CG2 :: 21.6900 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 :: 8.0930 HA :: 4.3600 HB :: 4.2550 HG21 :: 1.2680 HG22 :: 1.2680 HG23 :: 1.2680 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) 2.K13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.3130 HA :: 4.3250 HB2 :: 1.8060 HB3 :: 1.8440 HG2 :: 1.3900 HG3 :: 1.4380 HD3 :: 1.6040 HE3 :: 3.2710 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) 2.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.5800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3810 HA :: 4.3650 HB1 :: 1.4510 HB2 :: 1.4510 HB3 :: 1.4510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.78 M 0.08 L 0.05 C 0.05 C Shift Assignments>> CA :: 53.8400 CB :: 20.2300 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9440 HA :: 4.1660 HB1 :: 1.3920 HB2 :: 1.3920 HB3 :: 1.3920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) ########################################################################### Overall Results: #Consistent: 123 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 131 #Suspicious: 0 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 852 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 106 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Q20 HG2 = 1.3910(S), Expected = 2.32, Std = 0.2700, ChiSquare = 5.8012e-04 1.V32 HG11 = -0.1600(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4027e-04 1.V32 HG12 = -0.1600(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4027e-04 1.V32 HG13 = -0.1600(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.4027e-04 1.Y40 HD1 = 5.8750(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.3700e-04 1.Y40 HD2 = 5.8750(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.3700e-04 1.K56 HB2 = 0.8800(S), Expected = 1.78, Std = 0.2500, ChiSquare = 3.1822e-04 1.K56 HE2 = 2.2700(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.2379e-04 1.I57 HG13 = 2.6800(S), Expected = 1.19, Std = 0.4100, ChiSquare = 2.7890e-04 1.P85 HA = 2.7190(S), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5070e-07 1.M104 HG2 = 0.7560(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.9915e-06 1.A109 N = 110.9100(S), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0099e-04