Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.3546 CA :: 58.1807 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.5160 HB2 :: 3.9370 HB3 :: 3.9370 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.29 R 0.03 G 0.01 C Shift Assignments>> C :: 177.0432 CA :: 55.4140 CB :: 42.3929 CG :: 26.9950 CD1 :: 24.7940 CD2 :: 23.9020 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 :: 8.1873 HA :: 4.4170 HB2 :: 1.6150 HB3 :: 1.6150 HG :: 1.6150 HD11 :: 0.9160 HD12 :: 0.9160 HD13 :: 0.9160 HD21 :: 0.8778 HD22 :: 0.8778 HD23 :: 0.8778 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 :: 123.6128 Ave N Shift Values>> N :: 121.86(3.9) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 G 0.07 K 0.04 C Shift Assignments>> C :: 175.9424 CA :: 55.8536 CB :: 30.6340 CG :: 27.0540 CD :: 43.4230 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 :: 8.4192 HA :: 4.3810 HB2 :: 1.8090 HB3 :: 1.8090 HG2 :: 1.6110 HG3 :: 1.6110 HD2 :: 3.2030 HD3 :: 3.2030 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 :: 123.1292 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.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.8917 CA :: 61.7164 CB :: 33.6363 CG1 :: 20.9430 CG2 :: 20.9430 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 :: 8.2992 HA :: 4.1830 HB :: 2.0400 HG11 :: 0.9010 HG12 :: 0.9010 HG13 :: 0.9010 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 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 :: 123.0984 Ave N Shift Values>> N :: 121.14(4.54) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.32 R 0.12 C Shift Assignments>> C :: 173.8130 CA :: 54.6779 CB :: 32.2844 CG :: 25.2500 CD :: 29.1290 CE :: 42.0050 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 :: 8.4921 HA :: 4.5089 HB2 :: 1.7600 HG2 :: 1.5080 HG3 :: 1.5900 HD2 :: 1.6150 HE2 :: 3.0190 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 :: 127.6905 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P7 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>> C :: 174.9874 CA :: 62.7486 CB :: 32.7615 CG :: 26.9230 CD :: 49.9990 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 :: 4.9920 HB2 :: 2.5360 HB3 :: 2.0090 HG2 :: 1.9410 HG3 :: 2.0510 HD2 :: 3.8380 HD3 :: 3.6300 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.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.3075 CA :: 57.6458 CB :: 63.9661 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4627 HA :: 4.2460 HB2 :: 3.7510 HB3 :: 3.4220 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 :: 109.2471 Ave N Shift Values>> N :: 116.28(3.52) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 A 0.17 C 0.17 K 0.07 P 0.01 C Shift Assignments>> C :: 175.0807 CA :: 51.1724 CB :: 23.4400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2180 HA :: 5.3430 HB1 :: 1.0500 HB2 :: 1.0500 HB3 :: 1.0500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0992 Ave N Shift Values>> N :: 123.23(3.54) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.2840 CA :: 57.5049 CB :: 65.8145 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2694 HA :: 4.5650 HB2 :: 3.7960 HB3 :: 3.6390 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 110.6619 Ave N Shift Values>> N :: 116.28(3.52) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.29 R 0.05 C Shift Assignments>> C :: 177.9707 CA :: 55.3971 CB :: 41.6726 CG :: 26.9330 CD1 :: 26.0900 CD2 :: 24.0720 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.4067 HA :: 4.4930 HB2 :: 1.8880 HB3 :: 1.2460 HG :: 1.7370 HD11 :: 0.9256 HD12 :: 0.9256 HD13 :: 0.9256 HD21 :: 0.7030 HD22 :: 0.7030 HD23 :: 0.7030 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 :: 123.9591 Ave N Shift Values>> N :: 121.86(3.9) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.35 R 0.12 C Shift Assignments>> C :: 174.7207 CA :: 54.9947 CB :: 31.1165 CG :: 24.6470 CD :: 29.0580 CE :: 41.6810 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 :: 8.4748 HA :: 4.3910 HB2 :: 1.8290 HB3 :: 1.4420 HG2 :: 1.3820 HG3 :: 1.2840 HD2 :: 1.6450 HD3 :: 1.6450 HE2 :: 2.9160 HE3 :: 2.9160 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 :: 124.2661 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.22 C 0.19 R 0.01 C Shift Assignments>> C :: 176.1403 CA :: 54.3214 CB :: 44.1647 CG :: 27.0200 CD1 :: 24.4200 CD2 :: 24.4200 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.2928 HA :: 4.4220 HB2 :: 1.5000 HB3 :: 1.5000 HD11 :: 0.8820 HD12 :: 0.8820 HD13 :: 0.8820 HD21 :: 0.8820 HD22 :: 0.8820 HD23 :: 0.8820 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 :: 120.0293 Ave N Shift Values>> N :: 121.86(3.9) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.18 R 0.18 E 0.15 Q 0.14 C 0.14 M 0.1 K 0.07 C Shift Assignments>> C :: 174.0601 CA :: 55.8806 CB :: 30.4195 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.7830 HB2 :: 3.1990 HB3 :: 2.9800 HD2 :: 6.9790 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.H15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 H 0.17 R 0.17 C 0.15 K 0.11 Q 0.09 E 0.09 C Shift Assignments>> C :: 173.8650 CA :: 54.6077 CB :: 31.3261 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 :: 7.3964 HA :: 4.8480 HB2 :: 3.3110 HB3 :: 3.1620 HD2 :: 7.0510 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 :: 116.4888 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.11 N 0.1 K 0.08 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.3899 CA :: 54.6231 CB :: 40.9268 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 :: 8.5344 HA :: 4.7690 HB2 :: 2.7050 HB3 :: 2.5190 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 :: 120.5033 Ave N Shift Values>> N :: 120.65(3.86) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.23 G 0.1 R 0.02 A 0.01 C Shift Assignments>> C :: 175.7249 CA :: 54.8369 CB :: 43.5127 CG :: 26.9090 CD1 :: 24.6200 CD2 :: 23.7000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7531 HA :: 4.6270 HB2 :: 1.8860 HB3 :: 1.3260 HG :: 1.7220 HD11 :: 0.8450 HD12 :: 0.8450 HD13 :: 0.8450 HD21 :: 0.8660 HD22 :: 0.8660 HD23 :: 0.8660 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 :: 123.6793 Ave N Shift Values>> N :: 121.86(3.9) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.36 R 0.12 G 0.01 C Shift Assignments>> C :: 174.9467 CA :: 55.6845 CB :: 33.5805 CG :: 24.9620 CD :: 29.2580 CE :: 42.2580 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 :: 8.4090 HA :: 5.0560 HB2 :: 1.7640 HB3 :: 1.7640 HG2 :: 1.3430 HG3 :: 1.3430 HD2 :: 1.7050 HD3 :: 1.7050 HE2 :: 2.9370 HE3 :: 2.9370 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 :: 124.0276 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.29 L 0.2 A 0.01 C Shift Assignments>> C :: 176.4021 CA :: 53.4013 CB :: 46.5013 CG :: 27.5350 CD1 :: 24.2790 CD2 :: 25.8810 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 :: 8.9476 HA :: 4.8210 HB2 :: 1.8360 HB3 :: 1.4530 HG :: 1.4510 HD11 :: 0.7910 HD12 :: 0.7910 HD13 :: 0.7910 HD21 :: 0.6860 HD22 :: 0.6860 HD23 :: 0.6860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.8793 Ave N Shift Values>> N :: 121.86(3.9) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.18 H 0.14 C 0.14 E 0.14 R 0.1 I 0.03 L 0.03 M 0.02 C Shift Assignments>> C :: 174.3230 CA :: 56.8592 CB :: 28.7538 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.0015 HA :: 5.1590 HB2 :: 2.9430 HB3 :: 2.7840 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 :: 120.1333 Ave N Shift Values>> N :: 120.17(4.64) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.02 C Shift Assignments>> C :: 177.8351 CA :: 56.8668 CB :: 41.6323 CG :: 27.5040 CD1 :: 24.7760 CD2 :: 23.8000 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 :: 7.5603 HA :: 3.7640 HB2 :: 1.5680 HB3 :: 1.4410 HG :: 1.4560 HD11 :: 0.7760 HD12 :: 0.7760 HD13 :: 0.7760 HD21 :: 0.6810 HD22 :: 0.6810 HD23 :: 0.6810 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 :: 121.8304 Ave N Shift Values>> N :: 121.86(3.9) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.8027 CA :: 45.3379 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9603 HA2 :: 4.3650 HA3 :: 3.3610 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.8338 Ave N Shift Values>> N :: 109.67(3.87) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.19 K 0.07 C 0.04 F 0.04 G 0.04 N 0.02 Y 0.02 C Shift Assignments>> C :: 175.3233 CA :: 53.4366 CB :: 42.9234 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 :: 8.0678 HA :: 5.0080 HB2 :: 3.0220 HB3 :: 2.8210 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 :: 121.1230 Ave N Shift Values>> N :: 120.65(3.86) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.17 K 0.16 R 0.13 H 0.13 Q 0.09 E 0.04 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 173.2969 CA :: 54.3909 CB :: 32.3921 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 :: 8.0824 HA :: 4.7880 HB2 :: 3.1530 HB3 :: 2.5380 HD2 :: 6.7200 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 :: 115.0707 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.5820 CA :: 57.6280 CB :: 65.6000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3091 HA :: 4.7330 HB2 :: 3.6840 HB3 :: 3.5240 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 :: 113.3070 Ave N Shift Values>> N :: 116.28(3.52) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.6180 CA :: 57.0471 CB :: 64.3616 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2371 HA :: 5.5410 HB2 :: 3.5900 HB3 :: 3.5320 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 :: 119.8034 Ave N Shift Values>> N :: 116.28(3.52) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 172.7623 CA :: 59.1760 CB :: 34.7394 CG1 :: 21.5900 CG2 :: 19.8760 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.2989 HA :: 4.5308 HB :: 1.7900 HG11 :: 0.7688 HG12 :: 0.7688 HG13 :: 0.7688 HG21 :: 0.6400 HG22 :: 0.6400 HG23 :: 0.6400 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 :: 125.1035 Ave N Shift Values>> N :: 121.14(4.54) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 175.4657 CA :: 62.9185 CB :: 32.3666 CG :: 27.6860 CD :: 51.5610 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 :: 4.7990 HB2 :: 2.2970 HB3 :: 1.8530 HG2 :: 1.8770 HG3 :: 2.1200 HD2 :: 3.8470 HD3 :: 3.6600 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 174.0438 CA :: 60.5224 CB :: 35.3833 CG1 :: 21.7130 CG2 :: 22.4920 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1600 HA :: 4.6310 HB :: 1.9890 HG11 :: 0.8557 HG12 :: 0.8557 HG13 :: 0.8557 HG21 :: 0.8310 HG22 :: 0.8310 HG23 :: 0.8310 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 :: 121.3463 Ave N Shift Values>> N :: 121.14(4.54) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 176.6971 CA :: 51.1688 CB :: 20.5414 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.8903 HA :: 4.9040 HB1 :: 1.3290 HB2 :: 1.3290 HB3 :: 1.3290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.7664 Ave N Shift Values>> N :: 123.23(3.54) 1.L31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.54 C 0.26 R 0.16 G 0.02 C Shift Assignments>> C :: 175.5291 CA :: 54.2558 CB :: 42.4269 CG :: 26.9830 CD1 :: 26.9830 CD2 :: 25.6000 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 :: 8.6423 HA :: 4.7510 HB2 :: 1.1590 HB3 :: 0.1270(S) HG :: 1.2840 HD11 :: 0.6140 HD12 :: 0.6140 HD13 :: 0.6140 HD21 :: 0.4830 HD22 :: 0.4830 HD23 :: 0.4830 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.0202 Ave N Shift Values>> N :: 121.86(3.9) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.11 G 0.01 C Shift Assignments>> C :: 173.9268 CA :: 55.1115 CB :: 35.7603 CG :: 24.7120 CD :: 29.1530 CE :: 42.2450 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 :: 8.4065 HA :: 4.6390 HB2 :: 1.7010 HB3 :: 1.5990 HG2 :: 1.2880 HG3 :: 1.2880 HD2 :: 1.5900 HD3 :: 1.5900 HE2 :: 2.9160 HE3 :: 2.9160 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 :: 122.4399 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.6211 CA :: 43.5610 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3484 HA2 :: 4.8030 HA3 :: 3.6390 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.6953 Ave N Shift Values>> N :: 109.67(3.87) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.27 C 0.22 E 0.05 R 0.05 M 0.03 C Shift Assignments>> C :: 174.5586 CA :: 54.2000 CB :: 28.7555 CG :: 34.0020 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.5574 HA :: 4.5530 HB2 :: 1.9480 HB3 :: 1.9100 HG2 :: 2.2660 HG3 :: 2.2660 HE21 :: 7.5686 HE22 :: 6.8601 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.8078 NE2 :: 112.6727 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.12 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 171.8869 CA :: 43.6184 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4031 HA2 :: 2.5140(S) HA3 :: 2.8670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.9427 Ave N Shift Values>> N :: 109.67(3.87) 1.P36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.99 C Shift Assignments>> C :: 175.7723 CA :: 61.6421 CB :: 35.9400(S) CG :: 25.4150 CD :: 51.1050 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 :: 4.4350 HB2 :: 1.9290 HB3 :: 1.7430 HG2 :: 1.7300 HG3 :: 1.8213 HD2 :: 3.6020 HD3 :: 3.3350 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.F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.21 G 0.2 C 0.17 C Shift Assignments>> C :: 176.0444 CA :: 56.9752 CB :: 43.6230 CD1 :: 130.9800 CE1 :: 129.6300 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 :: 9.0031 HA :: 5.4630 HB2 :: 2.9880 HB3 :: 2.6700 HD1 :: 7.1700 HE1 :: 7.0160 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 :: 118.6906 Ave N Shift Values>> N :: 120.45(4.18) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.9658 CA :: 61.7359 CB :: 70.9357 CG2 :: 21.4800 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 :: 8.9210 HA :: 5.5560 HB :: 3.9930 HG21 :: 1.0670 HG22 :: 1.0670 HG23 :: 1.0670 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 :: 114.9774 Ave N Shift Values>> N :: 115.42(4.75) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.19 A 0.15 L 0.08 C Shift Assignments>> C :: 173.8876 CA :: 53.6359 CB :: 47.6141 CG :: 27.4084 CD1 :: 23.1580 CD2 :: 26.1730 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2584 HA :: 5.1090 HB2 :: 1.7410 HB3 :: 1.0010 HG :: 1.5790 HD11 :: 0.8940 HD12 :: 0.8940 HD13 :: 0.8940 HD21 :: 0.7480 HD22 :: 0.7480 HD23 :: 0.7480 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 :: 132.3874 Ave N Shift Values>> N :: 121.86(3.9) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.1900 CA :: 61.1210 CB :: 69.7691 CG2 :: 20.5300 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 :: 8.8331 HA :: 5.7770 HB :: 4.1200 HG21 :: 1.0670 HG22 :: 1.0670 HG23 :: 1.0670 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 :: 121.9524 Ave N Shift Values>> N :: 115.42(4.75) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.43 G 0.01 C Shift Assignments>> C :: 170.0453 CA :: 56.3286 CB :: 41.6699 CD1 :: 130.3810 CE1 :: 117.7500 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.2269 HA :: 5.3450 HB2 :: 3.0940 HB3 :: 2.7980 HD1 :: 6.7060 HD2 :: 7.1560 HE1 :: 6.3380 HE2 :: 6.7060 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.0722 Ave N Shift Values>> N :: 120.52(4.2) 1.D42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 L 0.16 R 0.04 D 0.03 C 0.03 C Shift Assignments>> C :: 177.2676 CA :: 52.4130 CB :: 44.6986 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 :: 9.4617 HA :: 6.1450(S) HB2 :: 2.5410 HB3 :: 2.3750 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 :: 120.1001 Ave N Shift Values>> N :: 120.65(3.86) 1.I43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 176.2076 CA :: 60.3813 CB :: 39.3267 CG1 :: 28.4840 CG2 :: 17.6850 CD1 :: 13.2640 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 :: 9.1744 HA :: 5.3800 HB :: 2.1000 HG12 :: 1.3470 HG13 :: 1.9600 HG21 :: 1.1300 HG22 :: 1.1300 HG23 :: 1.1300 HD11 :: 0.9420 HD12 :: 0.9420 HD13 :: 0.9420 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 :: 117.8155 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 I 0.03 G 0.01 C Shift Assignments>> C :: 175.6652 CA :: 60.4632 CB :: 41.7826 CG1 :: 28.8600 CG2 :: 14.9040 CD1 :: 17.5430 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 :: 9.9032 HA :: 4.7190 HB :: 1.7720 HG12 :: 1.4960 HG13 :: 0.9130 HG21 :: 0.9010 HG22 :: 0.9010 HG23 :: 0.9010 HD11 :: 0.6960 HD12 :: 0.6960 HD13 :: 0.6960 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 :: 130.3551 Ave N Shift Values>> N :: 121.46(4.28) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.36 M 0.08 K 0.05 Q 0.03 I 0.02 C Shift Assignments>> C :: 176.8535 CA :: 55.3354 CB :: 30.0469 CG :: 36.7070 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 :: 8.5940 HA :: 4.0970 HB2 :: 1.9500 HB3 :: 1.2700 HG2 :: 2.2070 HG3 :: 1.8530 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 :: 127.7519 Ave N Shift Values>> N :: 120.67(3.48) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.26 C Shift Assignments>> C :: 176.1476 CA :: 68.6780 CB :: 65.6760 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>> H :: 7.9364 HA :: 4.1760 HB :: 3.9760 HG21 :: 1.1770 HG22 :: 1.1770 HG23 :: 1.1770 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 :: 117.7512 Ave N Shift Values>> N :: 115.42(4.75) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.3 C 0.26 C Shift Assignments>> C :: 175.7250 CA :: 57.6600 CB :: 38.4130 CD1 :: 130.4900 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 :: 7.8357 HA :: 4.5660 HB2 :: 3.3920 HB3 :: 3.0950 HD1 :: 7.2700 HD2 :: 6.8200 HE1 :: 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 :: 117.6248 Ave N Shift Values>> N :: 120.45(4.18) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.8580 CA :: 58.1094 CB :: 65.0316 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3387 HA :: 4.6180 HB2 :: 4.0680 HB3 :: 3.7710 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 :: 114.3319 Ave N Shift Values>> N :: 116.28(3.52) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.H24 1.H24 C Shift Assignments>> C :: 173.6406 CA :: 62.9570 CB :: 60.4984 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0990 HA :: 4.0820 HB2 :: 4.1770 HB3 :: 4.1770 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 :: 115.1270 Ave N Shift Values>> N :: 116.28(3.52) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.43 R 0.09 C Shift Assignments>> C :: 175.4923 CA :: 57.1283 CB :: 33.5605 CG :: 25.3120 CD :: 29.0010 CE :: 41.7590 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 :: 8.1700 HA :: 4.2910 HB2 :: 1.7700 HB3 :: 1.7100 HG2 :: 1.4440 HG3 :: 1.3490 HD2 :: 1.7260 HD3 :: 1.7260 HE2 :: 2.7520 HE3 :: 2.7520 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 :: 122.0045 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.21 G 0.17 K 0.07 C Shift Assignments>> C :: 174.7480 CA :: 54.8179 CB :: 34.6162 CG :: 26.6410 CD :: 43.5410 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 :: 8.5844 HA :: 5.1770 HB2 :: 1.7330 HB3 :: 1.6360 HG2 :: 1.3930 HG3 :: 1.3930 HD2 :: 3.1250 HD3 :: 3.1250 HE :: 7.2973 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 :: 122.7044 NE :: 83.56 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.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.2 G 0.01 C Shift Assignments>> C :: 173.7891 CA :: 55.3799 CB :: 35.7545 CG :: 25.2410 CD :: 29.1940 CE :: 42.2580 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 :: 8.6097 HA :: 4.5140 HB2 :: 1.6800 HB3 :: 1.6800 HG2 :: 1.3040 HG3 :: 1.1190 HD2 :: 1.6700 HD3 :: 1.6700 HE2 :: 2.8910 HE3 :: 2.8910 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 :: 124.9035 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T53 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>> C :: 173.6492 CA :: 61.7264 CB :: 70.2010 CG2 :: 22.0860 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 :: 8.0500 HA :: 5.2160 HB :: 3.4840 HG21 :: 1.0620 HG22 :: 1.0620 HG23 :: 1.0620 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 :: 120.8772 Ave N Shift Values>> N :: 115.42(4.75) 1.F54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.43 F 0.37 C 0.17 C Shift Assignments>> C :: 172.7434 CA :: 56.9139 CB :: 41.6780 CD1 :: 132.7600 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 :: 9.4293 HA :: 4.4010 HB2 :: 2.4390 HB3 :: 1.4880(S) HD1 :: 7.0850 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 :: 127.3645 Ave N Shift Values>> N :: 120.45(4.18) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.22 E 0.15 C Shift Assignments>> C :: 174.8342 CA :: 54.5976 CB :: 32.8808 CG :: 37.3580 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 :: 8.3671 HA :: 5.0610 HB2 :: 1.9270 HB3 :: 1.7430 HG2 :: 1.9350 HG3 :: 1.7190 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 :: 121.6533 Ave N Shift Values>> N :: 120.67(3.48) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 174.8725 CA :: 59.2528 CB :: 38.0260 CG1 :: 26.4990 CG2 :: 17.3690 CD1 :: 11.1730 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 :: 9.3846 HA :: 4.4430 HB :: 2.0050 HG12 :: 1.6120 HG13 :: 1.6120 HG21 :: 0.7850 HG22 :: 0.7850 HG23 :: 0.7850 HD11 :: 1.0450 HD12 :: 1.0450 HD13 :: 1.0450 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.1489 Ave N Shift Values>> N :: 121.46(4.28) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.38 R 0.17 C Shift Assignments>> C :: 175.7882 CA :: 55.8425 CB :: 35.2038 CG :: 25.3660 CD :: 29.3530 CE :: 42.0340 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 :: 8.5036 HA :: 4.8150 HB2 :: 1.8390 HB3 :: 1.7640 HG2 :: 1.3970 HG3 :: 1.3970 HD2 :: 1.6780 HD3 :: 1.6780 HE2 :: 2.9370 HE3 :: 2.9370 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 :: 124.5573 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.28 I 0.17 K 0.04 Q 0.02 L 0.01 C Shift Assignments>> C :: 175.2068 CA :: 56.8701 CB :: 27.3877 CG :: 36.8320 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 :: 8.1724 HA :: 3.5420 HB2 :: 2.1800 HB3 :: 1.9810 HG2 :: 2.1356 HG3 :: 2.0662 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.1902 Ave N Shift Values>> N :: 120.67(3.48) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.1 C Shift Assignments>> C :: 178.1891 CA :: 63.1793 CB :: 39.4278 CG1 :: 27.6250 CG2 :: 14.9410 CD1 :: 18.2860 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 :: 9.1788 HA :: 4.0030 HB :: 1.7690 HG12 :: 1.3650 HG13 :: 0.3768 HG21 :: 0.2190 HG22 :: 0.2190 HG23 :: 0.2190 HD11 :: 1.0280 HD12 :: 1.0280 HD13 :: 1.0280 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 :: 121.1076 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 HN Overlap>> 1.V103 1.V103 C Shift Assignments>> C :: 176.5830 CA :: 57.4685 CB :: 33.3430 CG :: 25.4980 CD :: 29.2360 CE :: 42.2400 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 :: 9.0209 HA :: 4.4180 HB2 :: 2.1150 HB3 :: 1.8170 HG2 :: 1.3420 HG3 :: 1.6430 HD2 :: 1.7140 HD3 :: 1.7140 HE2 :: 3.0370 HE3 :: 3.0370 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.9419 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 171.7643 CA :: 59.8865 CB :: 70.3016 CG2 :: 21.4800 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 :: 7.4388 HA :: 4.7700 HB :: 4.6790 HG21 :: 1.3230 HG22 :: 1.3230 HG23 :: 1.3230 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.0990 Ave N Shift Values>> N :: 115.42(4.75) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.16 Y 0.15 F 0.12 D 0.09 E 0.05 L 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 174.5874 CA :: 54.8007 CB :: 38.0915 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 :: 8.2870 HA :: 4.7880 HB2 :: 3.3010 HB3 :: 2.8300 HD21 :: 7.6779 HD22 :: 7.2314 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.2966 ND2 :: 111.0696 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.26 E 0.25 C Shift Assignments>> C :: 174.3594 CA :: 55.3820 CB :: 32.4486 CG :: 36.7210 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 :: 7.8050 HA :: 5.0990 HB2 :: 2.0070 HB3 :: 1.9150 HG2 :: 2.1600 HG3 :: 2.0580 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 :: 119.5847 Ave N Shift Values>> N :: 120.67(3.48) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.31 G 0.09 C Shift Assignments>> C :: 172.4819 CA :: 56.9356 CB :: 42.8439 CE1 :: 118.3570 CE2 :: 118.3900 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 :: 8.6532 HA :: 4.6780 HB2 :: 2.9250 HB3 :: 2.3190 HD1 :: 6.8260 HE1 :: 6.7230 HE2 :: 6.7200 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 :: 125.3173 Ave N Shift Values>> N :: 120.52(4.2) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 174.1796 CA :: 61.6803 CB :: 32.2736 CG1 :: 21.5570 CG2 :: 21.5570 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 :: 7.0471 HA :: 3.9900 HB :: 1.5920 HG11 :: 0.6710 HG12 :: 0.6710 HG13 :: 0.6710 HG21 :: 0.4970 HG22 :: 0.4970 HG23 :: 0.4970 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.3308 Ave N Shift Values>> N :: 121.14(4.54) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.2831 CA :: 61.7089 CB :: 39.3956 CG1 :: 28.0240 CG2 :: 15.4530 CD1 :: 14.4350 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 :: 8.2299 HA :: 3.6470 HB :: 1.6050 HG12 :: 0.5690 HG13 :: 1.5780 HG21 :: 0.2500 HG22 :: 0.2500 HG23 :: 0.2500 HD11 :: 0.0240 HD12 :: 0.0240 HD13 :: 0.0240 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 :: 127.4001 Ave N Shift Values>> N :: 121.46(4.28) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.32 R 0.09 C Shift Assignments>> C :: 177.4053 CA :: 54.4848 CB :: 32.3332 CG :: 24.6490 CD :: 29.1170 CE :: 41.8080 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 :: 8.2554 HA :: 5.0650 HB2 :: 1.6170 HB3 :: 1.6170 HG2 :: 1.2720 HG3 :: 1.2720 HD2 :: 1.4560 HD3 :: 1.4560 HE2 :: 2.6480 HE3 :: 2.6480 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 :: 129.0712 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.15 C Shift Assignments>> C :: 171.0654 CA :: 61.6572 CB :: 66.9233 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 :: 8.6899 HA :: 4.1260 HB :: 4.3570 HG21 :: 1.0640 HG22 :: 1.0640 HG23 :: 1.0640 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 :: 117.1809 Ave N Shift Values>> N :: 115.42(4.75) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 175.6130 CA :: 62.2151 CB :: 31.0833 CG :: 27.9260 CD :: 49.9510 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 :: 4.3920 HB2 :: 2.2520 HB3 :: 1.2830 HG2 :: 1.8340 HG3 :: 1.7220 HD2 :: 3.4630 HD3 :: 2.9630 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.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.4353 CA :: 62.6775 CB :: 31.4944 CG1 :: 21.0000 CG2 :: 21.4800 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 :: 7.9416 HA :: 3.6480 HB :: 1.7260 HG11 :: 0.8450 HG12 :: 0.8450 HG13 :: 0.8450 HG21 :: 0.6930 HG22 :: 0.6930 HG23 :: 0.6930 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 :: 118.7240 Ave N Shift Values>> N :: 121.14(4.54) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 F 0.25 C 0.22 HN Overlap>> 1.D86 1.D86 C Shift Assignments>> C :: 176.1788 CA :: 58.2571 CB :: 40.3544 CD1 :: 132.4325 CE1 :: 132.9040 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 :: 8.0916 HA :: 4.6550 HB2 :: 2.8300 HB3 :: 2.8300 HD1 :: 6.7650 HE1 :: 6.6890 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 :: 126.0735 Ave N Shift Values>> N :: 120.45(4.18) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.2155 CA :: 62.1685 CB :: 68.6969 CG2 :: 21.8000 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 :: 8.4902 HA :: 4.3270 HB :: 4.4950 HG21 :: 1.1520 HG22 :: 1.1520 HG23 :: 1.1520 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.9537 Ave N Shift Values>> N :: 115.42(4.75) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.4858 CA :: 61.6994 CB :: 70.9768 CG2 :: 21.5490 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 :: 7.6521 HA :: 4.5280 HB :: 4.0830 HG21 :: 1.2860 HG22 :: 1.2860 HG23 :: 1.2860 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 :: 116.7779 Ave N Shift Values>> N :: 115.42(4.75) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.9333 CA :: 44.8000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1011 HA2 :: 3.8130 HA3 :: 3.6080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.1668 Ave N Shift Values>> N :: 109.67(3.87) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.28 R 0.21 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.4254 CA :: 44.2050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6860 HA2 :: 4.2210 HA3 :: 3.6860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8498 Ave N Shift Values>> N :: 109.67(3.87) 1.D76 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.3 L 0.26 K 0.14 N 0.07 F 0.06 R 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.7266 CA :: 53.7763 CB :: 41.8174 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 :: 8.1213 HA :: 5.6670(S) HB2 :: 2.5910 HB3 :: 2.5910 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.6992 Ave N Shift Values>> N :: 120.65(3.86) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 Y 0.29 G 0.01 C Shift Assignments>> C :: 175.2211 CA :: 56.3764 CB :: 41.6949 CD1 :: 129.9600 CE1 :: 117.9320 CE2 :: 117.7700 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.7361 HA :: 5.5610 HB2 :: 2.7220 HB3 :: 2.7220 HD1 :: 6.7040 HD2 :: 6.9290 HE1 :: 6.3390 HE2 :: 6.8200 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 :: 123.9060 Ave N Shift Values>> N :: 120.52(4.2) 1.I78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.47 C Shift Assignments>> C :: 174.6486 CA :: 59.3212 CB :: 41.7241 CG1 :: 27.4370 CG2 :: 18.1280 CD1 :: 12.7690 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 :: 9.3500 HA :: 5.0800 HB :: 1.7160 HG12 :: 1.4380 HG13 :: 1.0470 HG21 :: 0.8600 HG22 :: 0.8600 HG23 :: 0.8600 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 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 :: 121.7559 Ave N Shift Values>> N :: 121.46(4.28) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 C 0.23 R 0.1 C Shift Assignments>> C :: 174.7894 CA :: 54.2558 CB :: 44.6865 CG :: 28.1220 CD1 :: 26.4360 CD2 :: 24.8100 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.2157 HA :: 5.5510 HB2 :: 1.8410 HB3 :: 1.3980 HG :: 1.7220 HD11 :: 0.6390 HD12 :: 0.6390 HD13 :: 0.6390 HD21 :: 0.6390 HD22 :: 0.6390 HD23 :: 0.6390 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 129.6834 Ave N Shift Values>> N :: 121.86(3.9) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0014 CA :: 55.0946 CB :: 65.5600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1829 HA :: 5.2440 HB2 :: 3.6490 HB3 :: 3.4690 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 :: 120.5481 Ave N Shift Values>> N :: 116.28(3.52) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 R 0.05 A 0.04 G 0.01 C Shift Assignments>> C :: 175.9871 CA :: 55.4345 CB :: 42.3358 CG :: 26.0600 CD1 :: 26.0600 CD2 :: 22.6970 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3964 HA :: 4.3320 HB2 :: 1.9080 HB3 :: 1.2290 HG :: 1.7080 HD11 :: 0.7388 HD12 :: 0.7388 HD13 :: 0.7388 HD21 :: 0.7038 HD22 :: 0.7038 HD23 :: 0.7038 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.3774 Ave N Shift Values>> N :: 121.86(3.9) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.1393 CA :: 64.4853 CB :: 33.4750 CG1 :: 20.9690 CG2 :: 20.0923 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0189 HA :: 4.2930 HB :: 1.6400 HG11 :: 0.9627 HG12 :: 0.9627 HG13 :: 0.9627 HG21 :: 0.9017 HG22 :: 0.9017 HG23 :: 0.9017 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 :: 123.7189 Ave N Shift Values>> N :: 121.14(4.54) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 171.2600 CA :: 57.6346 CB :: 66.0657 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1680 HA :: 5.3960 HB2 :: 3.9390 HB3 :: 3.7110 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 :: 112.1750 Ave N Shift Values>> N :: 116.28(3.52) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.04 G 0.03 A 0.02 C Shift Assignments>> C :: 170.1040 CA :: 57.8405 CB :: 42.5376 CG1 :: 29.2190 CG2 :: 15.8500 CD1 :: 16.4180 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 :: 8.7166 HA :: 5.3370 HB :: 1.6060 HG12 :: 1.1230 HG13 :: 1.5334 HG21 :: 0.7710 HG22 :: 0.7710 HG23 :: 0.7710 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 :: 117.3311 Ave N Shift Values>> N :: 121.46(4.28) 1.K85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 K 0.2 R 0.05 A 0.03 G 0.01 C Shift Assignments>> C :: 176.3011 CA :: 53.7711 CB :: 37.1263 CG :: 24.1930 CD :: 29.7860 CE :: 41.7790 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 :: 8.7723 HA :: 5.7800(S) HB2 :: 1.7750 HB3 :: 1.6990 HG2 :: 1.2560 HG3 :: 1.6759 HD2 :: 1.6610 HD3 :: 1.5990 HE2 :: 2.8760 HE3 :: 2.9170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.2501 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.3 L 0.28 R 0.1 K 0.07 N 0.06 C 0.05 G 0.03 F 0.03 Y 0.02 HN Overlap>> 1.F71 1.F71 C Shift Assignments>> C :: 178.0888 CA :: 52.0331 CB :: 42.4909 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 :: 8.1624 HA :: 5.2350 HB2 :: 3.6710(S) HB3 :: 2.5030 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 :: 125.9860 Ave N Shift Values>> N :: 120.65(3.86) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.0412 CA :: 60.4984 CB :: 62.7337 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1997 HA :: 4.1840 HB2 :: 3.9500 HB3 :: 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 :: 112.4524 Ave N Shift Values>> N :: 116.28(3.52) 1.T88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.9510 CA :: 62.6811 CB :: 70.5097 CG2 :: 21.9330 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 :: 8.3857 HA :: 4.4830 HB :: 4.4130 HG21 :: 1.2380 HG22 :: 1.2380 HG23 :: 1.2380 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 :: 113.4548 Ave N Shift Values>> N :: 115.42(4.75) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.0802 CA :: 45.0255 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1017 HA2 :: 4.4100 HA3 :: 3.5280 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2726 Ave N Shift Values>> N :: 109.67(3.87) 1.C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.22 R 0.19 Q 0.08 L 0.07 E 0.06 H 0.06 K 0.05 C Shift Assignments>> C :: 173.0556 CA :: 59.2474 CB :: 27.2793 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.6940 HA :: 4.2920 HB2 :: 2.8100 HB3 :: 2.7720 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 :: 121.7955 Ave N Shift Values>> N :: 120.17(4.64) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.7119 CA :: 61.0706 CB :: 33.3106 CG1 :: 21.0040 CG2 :: 20.0590 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 :: 8.4228 HA :: 4.7450 HB :: 1.9390 HG11 :: 0.9410 HG12 :: 0.9410 HG13 :: 0.9410 HG21 :: 0.8450 HG22 :: 0.8450 HG23 :: 0.8450 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.0205 Ave N Shift Values>> N :: 121.14(4.54) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.7333 CA :: 61.5000 CB :: 35.1916 CG1 :: 22.0580 CG2 :: 20.9000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.1498 HA :: 4.2910 HB :: 1.9370 HG11 :: 1.0020 HG12 :: 1.0020 HG13 :: 1.0020 HG21 :: 0.9020 HG22 :: 0.9020 HG23 :: 0.9020 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 :: 129.2666 Ave N Shift Values>> N :: 121.14(4.54) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.8170 CA :: 45.2367 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7183 HA2 :: 4.3370 HA3 :: 3.6770 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.7013 Ave N Shift Values>> N :: 109.67(3.87) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 C 0.26 G 0.25 R 0.18 A 0.01 C Shift Assignments>> C :: 175.4899 CA :: 54.7081 CB :: 44.2324 CG :: 27.0100 CD1 :: 27.7300 CD2 :: 23.6260 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 :: 7.9052 HA :: 4.5370 HB2 :: 1.4900 HB3 :: 1.2480 HG :: 1.6700 HD11 :: 0.7320 HD12 :: 0.7320 HD13 :: 0.7320 HD21 :: 1.0090 HD22 :: 1.0090 HD23 :: 1.0090 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.0405 Ave N Shift Values>> N :: 121.86(3.9) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1203 CA :: 56.4660 CB :: 62.8801 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7854 HA :: 4.7670 HB2 :: 3.8670 HB3 :: 3.7580 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 :: 119.0411 Ave N Shift Values>> N :: 116.28(3.52) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 M 0.25 C 0.24 K 0.14 E 0.02 HN Overlap>> 1.I101 1.I101 C Shift Assignments>> C :: 173.4296 CA :: 53.1036 CB :: 30.3717 CG :: 33.5920 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 :: 8.8253 HA :: 4.8140 HB2 :: 2.7400 HB3 :: 1.6900 HG2 :: 2.9500 HG3 :: 2.3400 HE21 :: 7.4726 HE22 :: 7.0195 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.4695 NE2 :: 113.4136 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.1203 CA :: 64.1166 CB :: 31.7748 CG :: 28.0770 CD :: 50.5060 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 :: 4.3540 HB2 :: 2.3980 HB3 :: 1.7970 HG2 :: 2.1300 HG3 :: 2.0070 HD2 :: 3.7660 HD3 :: 3.7330 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.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.21 R 0.2 K 0.07 C 0.04 F 0.04 G 0.04 Y 0.02 N 0.02 C Shift Assignments>> C :: 175.6878 CA :: 53.4898 CB :: 42.9322 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 :: 8.3682 HA :: 4.9630 HB2 :: 2.7630 HB3 :: 2.4900 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.7844 Ave N Shift Values>> N :: 120.65(3.86) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.05 C 0.04 HN Overlap>> 1.R105 1.R105 C Shift Assignments>> C :: 175.5976 CA :: 50.7953 CB :: 21.0247 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6855 HA :: 4.8170 HB1 :: 1.3080 HB2 :: 1.3080 HB3 :: 1.3080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2700 Ave N Shift Values>> N :: 123.23(3.54) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.37 R 0.11 C Shift Assignments>> C :: 174.9930 CA :: 55.7686 CB :: 33.4190 CG :: 25.2430 CD :: 29.1070 CE :: 41.9370 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 :: 8.6530 HA :: 4.7890 HB2 :: 1.8370 HB3 :: 1.7220 HG2 :: 1.4390 HG3 :: 1.2910 HD2 :: 1.8200 HD3 :: 1.6750 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.1527 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 HN Overlap>> 1.Q96 1.Q96 C Shift Assignments>> C :: 174.5937 CA :: 60.4703 CB :: 41.0721 CG1 :: 27.5280 CG2 :: 17.9160 CD1 :: 14.4370 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 :: 8.8870 HA :: 4.5190 HB :: 1.5040 HG12 :: 0.9000 HG13 :: 1.5070 HG21 :: 0.3460 HG22 :: 0.3460 HG23 :: 0.3460 HD11 :: 0.7730 HD12 :: 0.7730 HD13 :: 0.7730 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.5381 Ave N Shift Values>> N :: 121.46(4.28) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.26 Q 0.22 E 0.14 K 0.05 C Shift Assignments>> C :: 174.4754 CA :: 55.3869 CB :: 31.1490 CG :: 34.5260 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 :: 8.8282 HA :: 5.0270 HB2 :: 2.1390 HB3 :: 1.9830 HG2 :: 2.3290 HG3 :: 2.1560 HE21 :: 7.9292 HE22 :: 6.8229 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 :: 127.5156 NE2 :: 112.1731 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.K60 1.K60 C Shift Assignments>> C :: 176.7828 CA :: 61.4833 CB :: 32.3295 CG1 :: 21.6190 CG2 :: 21.6190 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0209 HA :: 4.5730 HB :: 2.3350 HG11 :: 0.7150 HG12 :: 0.7150 HG13 :: 0.7150 HG21 :: 0.3960 HG22 :: 0.3960 HG23 :: 0.3960 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.9419 Ave N Shift Values>> N :: 121.14(4.54) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.39 K 0.14 G 0.06 C Shift Assignments>> C :: 175.4923 CA :: 54.1096 CB :: 33.4307 CG :: 27.0370 CD :: 42.9150 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 :: 8.6967 HA :: 4.7840 HB2 :: 1.9320 HB3 :: 1.8240 HG2 :: 1.5540 HG3 :: 1.5540 HD2 :: 3.3550 HD3 :: 3.1240 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 :: 127.9839 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.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.39 K 0.08 G 0.06 HN Overlap>> 1.A99 1.A99 C Shift Assignments>> C :: 175.7266 CA :: 56.6970 CB :: 31.2181 CG :: 27.5380 CD :: 43.4270 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 :: 8.6665 HA :: 4.2960 HB2 :: 1.8400 HB3 :: 1.7990 HG2 :: 1.6120 HG3 :: 1.5767 HD2 :: 3.1800 HD3 :: 3.1800 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 :: 121.2278 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.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.12 N 0.08 F 0.08 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 176.1426 CA :: 54.1020 CB :: 41.4304 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 :: 8.5665 HA :: 4.6430 HB2 :: 2.7000 HB3 :: 2.7520 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 :: 122.2156 Ave N Shift Values>> N :: 120.65(3.86) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.07 M 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 177.1055 CA :: 56.8883 CB :: 30.0196 CG :: 36.3050 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 :: 8.5739 HA :: 4.2930 HB2 :: 2.1030 HB3 :: 1.8930 HG2 :: 2.2090 HG3 :: 2.2650 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 :: 122.8553 Ave N Shift Values>> N :: 120.67(3.48) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1262 CA :: 45.4403 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5360 HA2 :: 3.8640 HA3 :: 3.8640 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.9427 Ave N Shift Values>> N :: 109.67(3.87) 1.H109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 R 0.15 E 0.14 C 0.13 K 0.12 M 0.06 C Shift Assignments>> C :: 175.0597 CA :: 55.9022 CB :: 29.7537 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 :: 8.1055 HA :: 4.5400 HB2 :: 2.9750 HB3 :: 3.0300 HD2 :: 6.9550 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 :: 118.7278 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H111 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H112 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 106 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 108 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 470 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 753 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 106 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L31 HB3 = 0.1270(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.0908e-04 1.G35 HA2 = 2.5140(S), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3150e-05 1.P36 CB = 35.9400(S), Expected = 31.85, Std = 1.1800, ChiSquare = 5.2806e-04 1.D42 HA = 6.1450(S), Expected = 4.59, Std = 0.3200, ChiSquare = 1.1776e-06 1.F54 HB3 = 1.4880(S), Expected = 2.93, Std = 0.4000, ChiSquare = 3.1215e-04 1.D76 HA = 5.6670(S), Expected = 4.59, Std = 0.3200, ChiSquare = 7.6370e-04 1.K85 HA = 5.7800(S), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9955e-04 1.D86 HB2 = 3.6710(S), Expected = 2.72, Std = 0.2600, ChiSquare = 2.5450e-04