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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.3390 CA :: 62.3600 CB :: 32.7250 CG1 :: 21.1360 CG2 :: 20.0650 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 :: 4.2780 HB :: 2.1830 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 1.0000 HG22 :: 1.0000 HG23 :: 1.0000 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3070 CA :: 58.0500 CB :: 63.8690 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3000 HA :: 4.6790 HB2 :: 3.8800 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 124.5670 Ave N Shift Values>> N :: 116.28(3.52) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 R 0.03 A 0.02 G 0.01 C Shift Assignments>> CA :: 55.2480 CB :: 42.4240 CG :: 26.8120 CD1 :: 24.8850 CD2 :: 23.1710 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 :: 8.3390 HA :: 4.4650 HB2 :: 1.6830 HB3 :: 1.6830 HG :: 1.6350 HD11 :: 0.9580 HD12 :: 0.9580 HD13 :: 0.9580 HD21 :: 0.9580 HD22 :: 0.9580 HD23 :: 0.9580 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 :: 125.0390 Ave N Shift Values>> N :: 121.86(3.9) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.5650 CA :: 59.6660 CB :: 63.4380 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8570 HA :: 4.3970 HB2 :: 3.8800 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 121.5000 Ave N Shift Values>> N :: 116.28(3.52) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.37 K 0.21 G 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> C :: 177.2740 CA :: 56.2180 CB :: 33.4790 CG :: 27.0250 CD :: 29.6600 CE :: 42.3960 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 :: 8.7900 HA :: 4.8550 HB2 :: 1.4840 HB3 :: 1.4840 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 :: 124.2630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.4880 CA :: 44.9210 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4950 HA2 :: 4.0240 HA3 :: 3.9730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0360 Ave N Shift Values>> N :: 109.67(3.87) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 177.7390 CA :: 44.2200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4600 HA2 :: 4.6790 HA3 :: 4.4460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.0970 Ave N Shift Values>> N :: 109.67(3.87) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.19 C 0.09 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> C :: 174.6680 CA :: 53.2380 CB :: 38.9360 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 :: 8.4080 HA :: 4.7870 HB2 :: 2.8530 HB3 :: 2.7430 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.5310 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 HN Overlap>> 1.E152 1.E152 C Shift Assignments>> C :: 174.6420 CA :: 60.3890 CB :: 34.4550 CG1 :: 21.5350 CG2 :: 20.2170 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1470 HA :: 4.6800 HB :: 2.1410 HG11 :: 1.1370 HG12 :: 1.1370 HG13 :: 1.1370 HG21 :: 0.9410 HG22 :: 0.9410 HG23 :: 0.9410 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 :: 119.9150 Ave N Shift Values>> N :: 121.14(4.54) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9330 CA :: 56.0810 CB :: 64.1800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9550 HA :: 5.0500 HB2 :: 3.8880 HB3 :: 3.8880 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8740 Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.26 A 0.08 R 0.06 G 0.01 C Shift Assignments>> C :: 179.0030 CA :: 55.1870 CB :: 42.3180 CG :: 27.1340 CD1 :: 25.3780 CD2 :: 22.1940 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 :: 8.9870 HA :: 4.8880 HB2 :: 1.9850 HB3 :: 1.8970 HG :: 1.4700 HD11 :: 0.8970 HD12 :: 0.8970 HD13 :: 0.8970 HD21 :: 1.0220 HD22 :: 1.0220 HD23 :: 1.0220 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 :: 123.9530 Ave N Shift Values>> N :: 121.86(3.9) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4100 CA :: 59.7090 CB :: 63.5350 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3030 HA :: 4.4110 HB2 :: 3.8740 HB3 :: 3.8740 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.0780 Ave N Shift Values>> N :: 116.28(3.52) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.42 R 0.06 HN Overlap>> 1.K7 1.K7 C Shift Assignments>> C :: 174.9780 CA :: 56.3030 CB :: 33.6920 CG :: 24.6700 CD :: 28.9510 CE :: 41.7910 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 :: 8.7210 HA :: 4.6800 HB2 :: 1.4840 HB3 :: 1.4840 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 :: 124.3380 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T16 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 :: 173.8910 CA :: 61.5090 CB :: 69.8660 CG2 :: 21.7830 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 :: 8.1660 HA :: 4.3620 HB :: 4.2220 HG21 :: 1.2480 HG22 :: 1.2480 HG23 :: 1.2480 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.0520 Ave N Shift Values>> N :: 115.42(4.75) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.06 C 0.01 C Shift Assignments>> CA :: 50.4410 CB :: 18.5140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3420 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.7590 Ave N Shift Values>> N :: 123.23(3.54) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 176.7980 CA :: 62.8390 CB :: 32.0570 CG :: 27.1630 CD :: 50.3650 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 :: 4.5500 HB2 :: 2.3400 HB3 :: 2.0200 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.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I129 1.I129 C Shift Assignments>> C :: 174.2940 CA :: 58.3180 CB :: 63.7090 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3550 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.3520 Ave N Shift Values>> N :: 116.28(3.52) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.39 A 0.14 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> C :: 174.5520 CA :: 56.4050 CB :: 34.6660 CG :: 31.8710 CE :: 18.9810 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 :: 8.5440 HA :: 4.4320 HB2 :: 1.9000 HB3 :: 1.9000 HG2 :: 2.4900 HG3 :: 2.2870 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 :: 122.8080 Ave N Shift Values>> N :: 120.09(3.57) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.46 R 0.04 C Shift Assignments>> C :: 175.1040 CA :: 57.6220 CB :: 35.0140 CG :: 24.3610 CD :: 28.7320 CE :: 42.0710 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 :: 9.4250 HA :: 4.4460 HB2 :: 1.9130 HB3 :: 1.9130 HG2 :: 1.5000 HG3 :: 1.4710 HD2 :: 1.7830 HD3 :: 1.7120 HE2 :: 3.0530 HE3 :: 3.0530 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 :: 122.7500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.19 L 0.19 K 0.06 F 0.06 C 0.05 Y 0.04 C Shift Assignments>> C :: 174.1840 CA :: 52.7530 CB :: 41.1010 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 :: 8.4890 HA :: 5.6180 HB2 :: 2.6710 HB3 :: 2.6710 HD21 :: 6.7590 HD22 :: 8.7520 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 :: 120.2170 ND2 :: 117.1900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.28 C Shift Assignments>> C :: 173.5210 CA :: 59.5350 CB :: 35.8830 CG1 :: 22.4550 CG2 :: 20.8860 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 :: 8.8990 HA :: 4.9140 HB :: 1.9250 HG11 :: 0.8700 HG12 :: 0.8700 HG13 :: 0.8700 HG21 :: 0.8130 HG22 :: 0.8130 HG23 :: 0.8130 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 :: 119.6550 Ave N Shift Values>> N :: 121.14(4.54) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 C 0.2 L 0.18 C Shift Assignments>> C :: 174.6990 CA :: 53.6220 CB :: 45.7960 CG :: 27.2750 CD1 :: 24.9210 CD2 :: 26.7000 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 :: 9.0300 HA :: 5.3810 HB2 :: 1.4560 HB3 :: 1.4560 HG :: 1.2560 HD11 :: 0.7100 HD12 :: 0.7100 HD13 :: 0.7100 HD21 :: 0.8410 HD22 :: 0.8410 HD23 :: 0.8410 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 :: 129.2170 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.49 C 0.49 C Shift Assignments>> C :: 174.7360 CA :: 60.5790 CB :: 32.9270 CG1 :: 20.1820 CG2 :: 20.3720 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 :: 9.1920 HA :: 4.9570 HB :: 1.5870 HG11 :: 0.6650 HG12 :: 0.6650 HG13 :: 0.6650 HG21 :: -0.1260(S) HG22 :: -0.1260(S) HG23 :: -0.1260(S) 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 :: 128.0920 Ave N Shift Values>> N :: 121.14(4.54) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.2440 CA :: 43.7090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7380 HA2 :: 5.0000 HA3 :: 3.5180 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.4670 Ave N Shift Values>> N :: 109.67(3.87) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 C 0.36 A 0.05 C Shift Assignments>> C :: 174.8460 CA :: 52.7530 CB :: 46.6660 CG :: 28.5840 CD1 :: 23.7660 CD2 :: 29.0000 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 :: 9.0150 HA :: 5.1490 HB2 :: 1.9830 HB3 :: 1.1850 HG :: 0.8110 HD11 :: 0.9220 HD12 :: 0.9220 HD13 :: 0.9220 HD21 :: 0.8060 HD22 :: 0.8060 HD23 :: 0.8060 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 :: 126.6860 Ave N Shift Values>> N :: 121.86(3.9) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 169.8840 CA :: 44.7530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7560 HA2 :: 3.5950 HA3 :: 4.8170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.8730 Ave N Shift Values>> N :: 109.67(3.87) 1.W29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> 1.E89 1.E89 C Shift Assignments>> C :: 173.4380 CA :: 57.2740 CB :: 31.0140 CD1 :: 119.7800(S) CE3 :: 123.2300 CZ2 :: 112.5000 CZ3 :: 119.7200 CH2 :: 124.1240 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.6650 HA :: 4.9720 HB2 :: 3.6040 HB3 :: 2.9660 HD1 :: 7.1500 HE1 :: 9.8070 HE3 :: 7.0300 HZ2 :: 7.4900 HZ3 :: 7.1400 HH2 :: 7.6120 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.8420 NE1 :: 131.7150 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.82 C 0.1 N 0.07 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 175.5710 CA :: 52.9270 CB :: 40.9270 CG :: 179.8830 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3260 HA :: 5.0300 HB2 :: 2.7290 HB3 :: 2.7290 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 :: 121.0610 Ave N Shift Values>> N :: 120.65(3.86) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> C :: 178.6400 CA :: 51.5350 CB :: 19.3620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4580 HA :: 5.0000 HB1 :: 1.2950 HB2 :: 1.2950 HB3 :: 1.2950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4360 Ave N Shift Values>> N :: 123.23(3.54) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 G 0.11 K 0.01 C Shift Assignments>> C :: 176.0880 CA :: 57.0000 CB :: 30.7000 CG :: 26.9480 CD :: 43.7640 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 :: 8.8540 HA :: 5.2800 HB2 :: 1.9700 HB3 :: 1.7790 HG2 :: 1.6030 HG3 :: 1.4820 HD2 :: 3.7420 HD3 :: 3.7420 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 :: 121.9050 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.S33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S68 1.S68 C Shift Assignments>> C :: 174.9240 CA :: 58.1440 CB :: 64.0570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8390 HA :: 4.9730 HB2 :: 1.9420(S) HB3 :: 1.7780(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.2480 Ave N Shift Values>> N :: 116.28(3.52) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 174.4400 CA :: 60.4050 CB :: 70.8390 CG2 :: 21.4940 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 :: 7.6500 HA :: 4.6790 HB :: 4.4450 HG21 :: 1.3090 HG22 :: 1.3090 HG23 :: 1.3090 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 :: 113.4670 Ave N Shift Values>> N :: 115.42(4.75) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.77 C 0.19 N 0.03 C Shift Assignments>> C :: 176.0230 CA :: 55.0130 CB :: 40.7530 CG :: 180.1350 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 :: 8.5040 HA :: 4.5610 HB2 :: 2.7050 HB3 :: 2.7050 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 :: 121.0610 Ave N Shift Values>> N :: 120.65(3.86) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.9210 CA :: 44.4050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0480 HA2 :: 4.1730 HA3 :: 3.7920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.4050 Ave N Shift Values>> N :: 109.67(3.87) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.23 M 0.12 E 0.07 R 0.01 C Shift Assignments>> C :: 175.1830 CA :: 55.5350 CB :: 29.8630 CG :: 33.8560 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 :: 8.0210 HA :: 4.2980 HB2 :: 1.8950 HB3 :: 1.8950 HG2 :: 2.3220 HG3 :: 2.3220 HE21 :: 6.3730 HE22 :: 6.5600 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.5300 NE2 :: 107.7030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.66 C 0.16 G 0.16 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 175.4090 CA :: 55.1340 CB :: 43.2830 CG :: 179.8070 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 :: 8.2230 HA :: 4.4450 HB2 :: 2.7890 HB3 :: 2.5700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.0610 Ave N Shift Values>> N :: 120.65(3.86) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.36 C 0.17 C Shift Assignments>> C :: 172.7270 CA :: 55.9670 CB :: 39.9450 CD1 :: 131.6100 CD2 :: 131.6100 CE1 :: 131.5200 CE2 :: 131.5200 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 :: 9.1300 HA :: 4.6790 HB2 :: 3.1830 HB3 :: 2.5680 HD1 :: 7.2700 HD2 :: 7.2750 HE1 :: 7.4500 HE2 :: 7.4630 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 :: 119.0920 Ave N Shift Values>> N :: 120.45(4.18) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.81 N 0.1 C 0.07 C Shift Assignments>> C :: 173.6320 CA :: 51.3380 CB :: 41.1530 CG :: 179.5400 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 :: 9.0000 HA :: 5.5650 HB2 :: 2.9220 HB3 :: 2.7600 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 :: 123.3110 Ave N Shift Values>> N :: 120.65(3.86) 1.L41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 A 0.15 R 0.09 K 0.01 C Shift Assignments>> C :: 176.5080 CA :: 54.1150 CB :: 40.9680 CG :: 31.2470(S) CD1 :: 25.6810 CD2 :: 22.8970 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 :: 5.6450(S) HA :: 4.7400 HB2 :: 0.8550 HB3 :: -1.1810(S) HG :: 1.1770 HD11 :: 0.4310 HD12 :: 0.4310 HD13 :: 0.4310 HD21 :: -0.1410 HD22 :: -0.1410 HD23 :: -0.1410 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 :: 124.1550 Ave N Shift Values>> N :: 121.86(3.9) 1.D42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.72 D 0.18 C 0.08 C Shift Assignments>> C :: 174.5370 CA :: 54.3010 CB :: 44.5790 CG :: 179.8270 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 :: 9.5150 HA :: 5.7300(S) HB2 :: 3.1550 HB3 :: 2.6730 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 :: 123.3110 Ave N Shift Values>> N :: 120.65(3.86) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.04 C 0.01 C Shift Assignments>> C :: 176.4750 CA :: 50.1340 CB :: 18.8390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7520 HA :: 5.4410 HB1 :: 1.3970 HB2 :: 1.3970 HB3 :: 1.3970 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.8110 Ave N Shift Values>> N :: 123.23(3.54) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.6 T 0.39 C Shift Assignments>> C :: 172.7920 CA :: 57.9120 CB :: 66.9850 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.3520 HA :: 5.4100 HB2 :: 3.9470 HB3 :: 3.7720 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 :: 117.6860 Ave N Shift Values>> N :: 116.28(3.52) 1.A45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.4 C 0.24 A 0.2 P 0.07 K 0.04 G 0.02 C Shift Assignments>> C :: 175.6030 CA :: 49.6710 CB :: 23.5610 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3070 HA :: 6.0140(S) HB1 :: 1.2700 HB2 :: 1.2700 HB3 :: 1.2700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9050 Ave N Shift Values>> N :: 123.23(3.54) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 C Shift Assignments>> C :: 174.6010 CA :: 56.0930 CB :: 41.1250 CD1 :: 128.0610 CD2 :: 128.0610 CE1 :: 130.1600 CE2 :: 130.1600 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 :: 8.3410 HA :: 5.5000 HB2 :: 2.3940 HB3 :: 2.3340 HD1 :: 6.7900 HD2 :: 6.7900 HE1 :: 7.0860 HE2 :: 7.0860 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.7170 Ave N Shift Values>> N :: 120.45(4.18) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.28 R 0.04 C Shift Assignments>> C :: 174.1170 CA :: 55.8750 CB :: 40.9680 CG :: 29.2990 CD1 :: 25.1240 CD2 :: 25.1240 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 :: 8.9570 HA :: 4.6790 HB2 :: 1.9400 HB3 :: 1.6610 HG :: 1.7630 HD11 :: 0.9780 HD12 :: 0.9780 HD13 :: 0.9780 HD21 :: 1.0170 HD22 :: 1.0170 HD23 :: 1.0170 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 :: 125.5610 Ave N Shift Values>> N :: 121.86(3.9) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.37 C 0.11 A 0.04 R 0.01 C Shift Assignments>> C :: 177.9620 CA :: 52.8190 CB :: 44.5790 CG :: 26.1580 CD1 :: 26.2000 CD2 :: 23.4310 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 :: 8.7640 HA :: 4.7100 HB2 :: 1.2370 HB3 :: 1.8240 HG :: 1.4420 HD11 :: 0.5770 HD12 :: 0.5770 HD13 :: 0.5770 HD21 :: 0.4600 HD22 :: 0.4600 HD23 :: 0.4600 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4050 Ave N Shift Values>> N :: 121.86(3.9) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 M 0.01 L 0.01 HN Overlap>> 1.M20 1.M20 C Shift Assignments>> C :: 178.8980 CA :: 50.8750 CB :: 20.2280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5450 HA :: 5.0030 HB1 :: 1.7660 HB2 :: 1.7660 HB3 :: 1.7660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7480 Ave N Shift Values>> N :: 123.23(3.54) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.02 HN Overlap>> 1.S125 1.S125 C Shift Assignments>> C :: 177.3150 CA :: 54.8560 CB :: 17.9130 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.0800 HA :: 4.0920 HB1 :: 1.4850 HB2 :: 1.4850 HB3 :: 1.4850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.0300 Ave N Shift Values>> N :: 123.23(3.54) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.19 M 0.07 E 0.07 Y 0.04 F 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 176.3140 CA :: 52.5050 CB :: 36.7640 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 :: 7.7770 HA :: 4.6000 HB2 :: 3.2710 HB3 :: 2.8780 HD21 :: 6.6470 HD22 :: 7.4990 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 :: 112.9050 ND2 :: 108.6280 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 172.3400 CA :: 45.9650 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4300 HA2 :: 4.2400 HA3 :: 3.6520 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.2800 Ave N Shift Values>> N :: 109.67(3.87) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 K 0.31 A 0.02 C Shift Assignments>> C :: 176.6050 CA :: 53.0590 CB :: 35.9880 CG :: 24.7360 CD :: 28.7670 CE :: 40.6240 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 :: 7.4320 HA :: 4.9720 HB2 :: 1.9250 HB3 :: 1.7350 HG2 :: 1.1390 HG3 :: 1.1350 HD2 :: 1.4040 HD3 :: 1.4100 HE2 :: 2.6670 HE3 :: 2.6670 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 :: 116.5610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.14 C Shift Assignments>> C :: 177.8000 CA :: 61.3740 CB :: 32.8840 CG1 :: 21.5340 CG2 :: 17.0290 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 :: 8.2690 HA :: 5.2360 HB :: 2.9380 HG11 :: 1.3690 HG12 :: 1.3690 HG13 :: 1.3690 HG21 :: 0.8690 HG22 :: 0.8690 HG23 :: 0.8690 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 :: 112.9050 Ave N Shift Values>> N :: 121.14(4.54) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.3 L 0.12 G 0.1 K 0.09 C Shift Assignments>> C :: 177.9940 CA :: 57.2720 CB :: 28.7820 CG :: 26.0400 CD :: 43.7070 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.5860 HA :: 4.4030 HB2 :: 2.2340 HB3 :: 1.9540 HD2 :: 3.2130 HD3 :: 2.9630 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 :: 121.9050 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.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.1470 CA :: 44.4130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4920 HA2 :: 4.1300 HA3 :: 4.1510 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.6230 Ave N Shift Values>> N :: 109.67(3.87) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.56 C 0.37 N 0.06 C Shift Assignments>> C :: 176.8310 CA :: 57.3830 CB :: 40.5330 CG :: 178.5810 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 :: 8.6340 HA :: 4.4150 HB2 :: 2.6070 HB3 :: 2.1300 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 :: 119.5050 Ave N Shift Values>> N :: 120.65(3.86) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.01 C Shift Assignments>> C :: 176.8310 CA :: 53.3920 CB :: 18.2510 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3410 HA :: 4.2970 HB1 :: 1.5600 HB2 :: 1.5600 HB3 :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.0920 Ave N Shift Values>> N :: 123.23(3.54) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.79 C 0.17 N 0.02 C Shift Assignments>> C :: 173.6320 CA :: 55.0550 CB :: 41.4190 CG :: 180.1810 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 :: 7.5350 HA :: 4.7370 HB2 :: 3.2130 HB3 :: 2.9700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1230 Ave N Shift Values>> N :: 120.65(3.86) 1.F60 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.7940 CA :: 53.2330 CB :: 40.0020 CD1 :: 126.9000(S) CD2 :: 126.9000(S) 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 :: 7.2260 HA :: 5.2600 HB2 :: 3.0300 HB3 :: 2.7100 HD1 :: 7.2760 HD2 :: 7.2760 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 :: 120.7800 Ave N Shift Values>> N :: 120.45(4.18) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 174.0520 CA :: 59.3910 CB :: 36.7570 CG1 :: 27.8180 CG2 :: 18.8070 CD1 :: 11.9300 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 :: 9.3680 HA :: 4.7680 HB :: 1.9260 HG12 :: 1.4430 HG13 :: 1.0470 HG21 :: 0.8710 HG22 :: 0.8710 HG23 :: 0.8710 HD11 :: 0.6370 HD12 :: 0.6370 HD13 :: 0.6370 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 132.8740 Ave N Shift Values>> N :: 121.46(4.28) 1.F62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.29 F 0.01 C Shift Assignments>> C :: 175.6680 CA :: 55.1470 CB :: 38.8370 CD1 :: 133.1300 CD2 :: 133.1300 CE1 :: 126.9360 CE2 :: 126.9360(S) 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 :: 8.2270 HA :: 4.6780 HB2 :: 2.3400 HB3 :: 2.3400 HD1 :: 7.2270 HD2 :: 7.1710 HE1 :: 6.8650 HE2 :: 6.8650 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.1550 Ave N Shift Values>> N :: 120.45(4.18) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 Y 0.22 C Shift Assignments>> CA :: 58.9200 CB :: 36.5190 CD1 :: 130.8720 CD2 :: 130.8720 CE1 :: 118.7600 CE2 :: 118.7600 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 :: 7.7270 HA :: 4.8100 HB2 :: 3.6840 HB3 :: 2.4340 HD1 :: 6.5300 HD2 :: 6.5300 HE1 :: 6.7930 HE2 :: 6.7930 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 :: 118.5300 Ave N Shift Values>> N :: 120.52(4.2) 1.N64 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.68 C 0.11 D 0.07 Y 0.03 F 0.03 M 0.01 L 0.01 E 0.01 C Shift Assignments>> C :: 173.8910 CA :: 51.7350 CB :: 37.9220 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 :: 3.4630(S) HA :: 5.0500 HB2 :: 2.9600 HB3 :: 2.2300 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 :: 113.7840 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (H > HA : 1.0000) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.15 Y 0.13 C 0.12 F 0.11 L 0.05 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 173.1150 CA :: 54.3980 CB :: 38.5880 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 :: 7.4170 HA :: 4.6900 HB2 :: 2.9500 HB3 :: 2.6160 HD21 :: 6.5260 HD22 :: 7.7310 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.3730 ND2 :: 114.9790 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.35 R 0.08 G 0.02 C Shift Assignments>> C :: 175.1180 CA :: 57.1440 CB :: 42.6650 CG :: 26.2770 CD1 :: 24.1430 CD2 :: 26.0000 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 :: 8.4000 HA :: 3.9880 HB2 :: 2.0750 HB3 :: 1.6610 HG :: 1.4840 HD11 :: 0.5480 HD12 :: 0.5480 HD13 :: 0.5480 HD21 :: 0.9250 HD22 :: 0.9250 HD23 :: 0.9250 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 :: 122.1860 Ave N Shift Values>> N :: 121.86(3.9) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.38 A 0.03 R 0.01 C Shift Assignments>> C :: 176.0550 CA :: 54.5640 CB :: 35.9250 CG :: 23.6680 CD :: 29.5970 CE :: 41.8100 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 :: 7.3600 HA :: 5.2740 HB2 :: 1.9430 HB3 :: 1.8040 HG2 :: 1.4790 HG3 :: 1.4790 HD2 :: 1.5800 HD3 :: 1.5800 HE2 :: 3.0450 HE3 :: 3.0450 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.7480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S33 1.S33 C Shift Assignments>> C :: 176.4430 CA :: 58.2260 CB :: 63.9670 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.8400 HA :: 4.5760 HB2 :: 3.9100 HB3 :: 3.9100 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.2480 Ave N Shift Values>> N :: 116.28(3.52) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 178.4140 CA :: 55.2300 CB :: 18.2010 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1240 HA :: 4.1520 HB1 :: 1.5150 HB2 :: 1.5150 HB3 :: 1.5150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2510 Ave N Shift Values>> N :: 123.23(3.54) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.86 C 0.09 N 0.02 G 0.01 C Shift Assignments>> C :: 176.9280 CA :: 52.9830 CB :: 41.9160 CG :: 180.0800 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 :: 7.7100 HA :: 4.6500 HB2 :: 3.1260 HB3 :: 2.6540 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.7720 Ave N Shift Values>> N :: 120.65(3.86) 1.G71 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 :: 174.5690 CA :: 45.4300 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6350 HA2 :: 4.2400 HA3 :: 3.5520 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9260 Ave N Shift Values>> N :: 109.67(3.87) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6980 CA :: 61.9510 CB :: 63.2000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5330 HA :: 5.2360 HB2 :: 3.8280 HB3 :: 3.6540 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 :: 117.6810 Ave N Shift Values>> N :: 116.28(3.52) 1.V73 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.V102 1.V124 1.V102 1.V124 C Shift Assignments>> C :: 174.9240 CA :: 61.7010 CB :: 34.3310 CG1 :: 22.0080 CG2 :: 20.9410 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 :: 7.7360 HA :: 4.9720 HB :: 1.9110 HG11 :: 0.8960 HG12 :: 0.8960 HG13 :: 0.8960 HG21 :: 1.0460 HG22 :: 1.0460 HG23 :: 1.0460 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 :: 121.6230 Ave N Shift Values>> N :: 121.14(4.54) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 171.5000 CA :: 61.2010 CB :: 72.3240 CG2 :: 21.2970 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 :: 8.6340 HA :: 4.9720 HB :: 4.0640 HG21 :: 1.2220 HG22 :: 1.2220 HG23 :: 1.2220 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.7530 Ave N Shift Values>> N :: 115.42(4.75) 1.H75 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.77 W 0.14 H 0.07 C Shift Assignments>> C :: 176.9920 CA :: 54.9520 CB :: 34.4560 CD2 :: 114.5640 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 :: 9.4840 HA :: 5.3700 HB2 :: 3.3610 HB3 :: 2.5410 HD2 :: 6.5880 HE1 :: 10.8810(A) 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 :: 129.4980 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.5080 CA :: 64.4500 CB :: 69.4490 CG2 :: 22.1270 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 :: 8.8690 HA :: 4.6790 HB :: 4.2240 HG21 :: 1.2800 HG22 :: 1.2800 HG23 :: 1.2800 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 :: 116.5610 Ave N Shift Values>> N :: 115.42(4.75) 1.G77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.1810 CA :: 43.7040 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.7550(S) HA2 :: 4.8840 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 :: 117.9670 Ave N Shift Values>> N :: 109.67(3.87) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.62 N 0.27 C 0.09 C Shift Assignments>> C :: 176.9600 CA :: 53.5770 CB :: 41.3300 CG :: 177.9240 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 :: 8.5910 HA :: 4.7380 HB2 :: 2.8330 HB3 :: 2.4820 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 :: 121.6230 Ave N Shift Values>> N :: 120.65(3.86) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.32 L 0.12 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 178.2520 CA :: 53.0770 CB :: 40.0800 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 :: 9.8960 HA :: 5.0900 HB2 :: 2.7700 HB3 :: 2.7460 HD21 :: 7.1620 HD22 :: 7.8460 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 :: 128.6550 ND2 :: 115.4180 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.38 K 0.08 G 0.02 C Shift Assignments>> C :: 175.5060 CA :: 56.2020 CB :: 30.3320 CG :: 26.9880 CD :: 42.7580 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.5430 HA :: 4.9140 HB2 :: 2.1450 HB3 :: 1.6900 HG2 :: 1.5520 HG3 :: 1.5520 HD2 :: 3.2700 HD3 :: 3.2700 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 :: 129.7800 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.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.26 C Shift Assignments>> C :: 175.0860 CA :: 62.2010 CB :: 72.9490 CG2 :: 21.6530 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 :: 8.3270 HA :: 5.0890 HB :: 4.4450 HG21 :: 1.1340 HG22 :: 1.1340 HG23 :: 1.1340 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 104.4670 Ave N Shift Values>> N :: 115.42(4.75) 1.G82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.33 K 0.2 D 0.12 R 0.11 F 0.08 Y 0.05 C 0.03 I 0.02 N 0.01 C Shift Assignments>> C :: 175.5710 CA :: 42.3290 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7810 HA2 :: 3.2430 HA3 :: 1.6030(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.7800 Ave N Shift Values>> N :: 109.67(3.87) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.34 I 0.09 K 0.09 Q 0.05 M 0.02 C Shift Assignments>> C :: 175.7640 CA :: 58.4510 CB :: 29.5820 CG :: 36.1180 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 :: 8.3550 HA :: 3.9760 HB2 :: 1.8950 HB3 :: 1.8950 HG2 :: 2.1890 HG3 :: 2.1890 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.8420 Ave N Shift Values>> N :: 120.67(3.48) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 173.9440 CA :: 43.5790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1770 HA2 :: 4.8110 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 :: 113.7480 Ave N Shift Values>> N :: 109.67(3.87) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.82 C 0.11 G 0.03 N 0.03 C Shift Assignments>> C :: 176.7220 CA :: 53.8270 CB :: 42.4540 CG :: 179.5700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5910 HA :: 4.9200 HB2 :: 2.7010 HB3 :: 2.5400 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 :: 123.5920 Ave N Shift Values>> N :: 120.65(3.86) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.0390 CA :: 45.9540 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4880 HA2 :: 3.8870 HA3 :: 3.7110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2480 Ave N Shift Values>> N :: 109.67(3.87) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.69 C 0.16 N 0.13 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 175.0490 CA :: 54.3270 CB :: 39.9550 CG :: 179.5400 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 :: 8.1950 HA :: 5.2000 HB2 :: 2.3100 HB3 :: 2.5200 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 :: 123.6870 Ave N Shift Values>> N :: 120.65(3.86) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.72 C 0.26 HN Overlap>> 1.K94 1.K94 C Shift Assignments>> C :: 177.4800 CA :: 55.8270 CB :: 41.2050 CG :: 180.9730 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 :: 8.6780 HA :: 4.5200 HB2 :: 2.6670 HB3 :: 2.1010 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 :: 130.0610 Ave N Shift Values>> N :: 120.65(3.86) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 E 0.12 HN Overlap>> 1.W29 1.W29 C Shift Assignments>> C :: 177.2910 CA :: 56.2020 CB :: 34.2060 CG :: 36.7110 CD :: 184.1930 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 :: 8.7150 HA :: 4.6790 HB2 :: 2.2760 HB3 :: 1.9540 HG2 :: 2.6870 HG3 :: 2.6870 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 :: 116.8420 Ave N Shift Values>> N :: 120.67(3.48) 1.S90 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.R117 1.R117 C Shift Assignments>> C :: 171.9870 CA :: 56.5770 CB :: 65.7000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7820 HA :: 5.7630 HB2 :: 3.6830 HB3 :: 3.6830 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 :: 113.4670 Ave N Shift Values>> N :: 116.28(3.52) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 C 0.19 L 0.09 R 0.03 C Shift Assignments>> C :: 175.4600 CA :: 53.4520 CB :: 45.2040 CG :: 27.9370 CD1 :: 26.7510 CD2 :: 26.7510 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 :: 9.0450 HA :: 5.3680 HB2 :: 1.5150 HB3 :: 1.2510 HG :: 1.3900 HD11 :: 1.3700 HD12 :: 1.3700 HD13 :: 1.3700 HD21 :: 0.8260 HD22 :: 0.8260 HD23 :: 0.8260 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 :: 120.7800 Ave N Shift Values>> N :: 121.86(3.9) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.36 R 0.05 C Shift Assignments>> C :: 176.4380 CA :: 55.0770 CB :: 33.7060 CG :: 24.9730 CD :: 29.0040 CE :: 41.5720 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 :: 9.1350 HA :: 4.9430 HB2 :: 1.8900 HB3 :: 1.6610 HG2 :: 1.3330 HG3 :: 1.2800 HD2 :: 1.4700 HD3 :: 1.4700 HE2 :: 2.8450 HE3 :: 2.8450 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 :: 121.6230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.39 C Shift Assignments>> C :: 174.6070 CA :: 60.0760 CB :: 39.9550 CG1 :: 28.8850 CG2 :: 18.9260 CD1 :: 15.9610 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 :: 8.9010 HA :: 5.2060 HB :: 1.6900 HG12 :: 1.4560 HG13 :: 1.2830 HG21 :: 0.5160 HG22 :: 0.5160 HG23 :: 0.5160 HD11 :: 0.8430 HD12 :: 0.8430 HD13 :: 0.8430 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 :: 124.4360 Ave N Shift Values>> N :: 121.46(4.28) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.33 R 0.08 A 0.01 HN Overlap>> 1.D88 1.D88 C Shift Assignments>> C :: 176.8170 CA :: 54.2020 CB :: 31.9560 CG :: 24.0240 CD :: 29.3600 CE :: 41.8100 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 :: 8.6780 HA :: 4.8550 HB2 :: 1.9120 HB3 :: 1.7200 HG2 :: 1.5330 HG3 :: 1.4590 HD2 :: 1.7180 HD3 :: 1.7180 HE2 :: 3.0090 HE3 :: 3.0090 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 :: 130.0610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 L 0.19 A 0.02 HN Overlap>> 1.D87 1.D87 C Shift Assignments>> C :: 179.2480 CA :: 58.2010 CB :: 39.9550 CG :: 26.2770 CD1 :: 22.1000 CD2 :: 21.5000 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 :: 8.1360 HA :: 3.6240 HB2 :: 1.6550 HB3 :: 0.8410 HG :: 1.0920 HD11 :: 0.3430 HD12 :: 0.3430 HD13 :: 0.3430 HD21 :: -0.4780(S) HD22 :: -0.4780(S) HD23 :: -0.4780(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.5920 Ave N Shift Values>> N :: 121.86(3.9) 1.D96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.63 C 0.28 N 0.07 C Shift Assignments>> C :: 176.3430 CA :: 55.8270 CB :: 39.7050 CG :: 179.7110 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 :: 8.9570 HA :: 4.5700 HB2 :: 2.7160 HB3 :: 1.6900(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.9980 Ave N Shift Values>> N :: 120.65(3.86) 1.A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 176.7540 CA :: 51.0780 CB :: 19.7090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6240 HA :: 4.5330 HB1 :: 1.3830 HB2 :: 1.3830 HB3 :: 1.3830 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4980 Ave N Shift Values>> N :: 123.23(3.54) 1.V98 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>> CA :: 61.2230 CB :: 32.6460 CG1 :: 22.4000 CG2 :: 22.4000 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 :: 7.1700 HA :: 4.1510 HB :: 2.2400 HG11 :: 0.9000 HG12 :: 0.9000 HG13 :: 0.9000 HG21 :: 0.9000 HG22 :: 0.9000 HG23 :: 0.9000 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 :: 123.0380 Ave N Shift Values>> N :: 121.14(4.54) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 63.4500 CB :: 33.0810 CG :: 28.0560 CD :: 51.1770 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 :: 4.4800 HB2 :: 2.5500 HB3 :: 2.0800 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.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.06 L 0.05 C Shift Assignments>> C :: 173.8180 CA :: 46.9530 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.7810 HA2 :: 4.6790 HA3 :: 3.9330 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.1230 Ave N Shift Values>> N :: 109.67(3.87) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 C 0.13 D 0.1 C Shift Assignments>> C :: 175.9960 CA :: 53.0770 CB :: 38.7050 CG :: 175.9960 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 :: 8.4590 HA :: 4.5760 HB2 :: 2.9800 HB3 :: 2.6270 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 :: 114.5920 Ave N Shift Values>> N :: 120.65(3.86) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.V73 1.V73 1.V124 1.V124 C Shift Assignments>> C :: 174.0390 CA :: 62.8250 CB :: 31.5810 CG1 :: 21.7710 CG2 :: 21.7710 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 :: 7.6680 HA :: 3.9760 HB :: 2.3210 HG11 :: 0.8780 HG12 :: 0.8780 HG13 :: 0.8780 HG21 :: 1.0240 HG22 :: 1.0240 HG23 :: 1.0240 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 :: 121.6230 Ave N Shift Values>> N :: 121.14(4.54) 1.D103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.07 D 0.05 C Shift Assignments>> C :: 174.5120 CA :: 55.4520 CB :: 45.2040 CG :: 178.3130 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 :: 9.3520 HA :: 4.6210 HB2 :: 2.3640 HB3 :: 2.3640 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 :: 129.4980 Ave N Shift Values>> N :: 120.65(3.86) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 R 0.18 K 0.11 G 0.01 C Shift Assignments>> C :: 173.6920 CA :: 54.9520 CB :: 37.8300 CG :: 24.8540 CD :: 29.7150 CE :: 41.9280 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 :: 7.9030 HA :: 5.5920 HB2 :: 1.8090 HB3 :: 1.7780 HG2 :: 1.4860 HG3 :: 1.4860 HD2 :: 1.4870 HD3 :: 1.4870 HE2 :: 2.7750 HE3 :: 2.7750 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 113.3710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.1120 CA :: 60.2120 CB :: 40.9880 CG1 :: 26.8000 CG2 :: 17.7400 CD1 :: 13.9460 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 :: 9.1190 HA :: 5.0450 HB :: 1.5140 HG12 :: 1.6470 HG13 :: 0.9210 HG21 :: 0.4640 HG22 :: 0.4640 HG23 :: 0.4640 HD11 :: 0.5020 HD12 :: 0.5020 HD13 :: 0.5020 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 :: 119.9360 Ave N Shift Values>> N :: 121.46(4.28) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> C :: 174.9540 CA :: 58.7760 CB :: 39.8000 CG1 :: 27.3780 CG2 :: 17.9310 CD1 :: 12.5010 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 :: 8.5910 HA :: 4.8850 HB :: 1.7200 HG12 :: 1.2740 HG13 :: 1.0170 HG21 :: 0.8700 HG22 :: 0.8700 HG23 :: 0.8700 HD11 :: 0.2560 HD12 :: 0.2560 HD13 :: 0.2560 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 :: 121.1850 Ave N Shift Values>> N :: 121.46(4.28) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.34 C 0.13 G 0.01 HN Overlap>> 1.Y176 1.Y176 C Shift Assignments>> C :: 174.8600 CA :: 56.7870 CB :: 42.3140 CD1 :: 131.7300 CD2 :: 131.7300 CE1 :: 130.1600 CE2 :: 130.1600 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 :: 7.9310 HA :: 5.7900 HB2 :: 3.5360 HB3 :: 3.1840 HD1 :: 7.2920 HD2 :: 7.2920 HE1 :: 7.0800 HE2 :: 7.0800 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 :: 119.3730 Ave N Shift Values>> N :: 120.45(4.18) 1.V108 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 :: 174.1340 CA :: 60.3230 CB :: 35.6850 CG1 :: 21.5140 CG2 :: 21.5140 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 :: 9.1900 HA :: 5.3530 HB :: 2.3350 HG11 :: 1.1400 HG12 :: 1.1400 HG13 :: 1.1400 HG21 :: 1.1340 HG22 :: 1.1340 HG23 :: 1.1340 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 :: 124.1550 Ave N Shift Values>> N :: 121.14(4.54) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.32 C Shift Assignments>> C :: 174.9860 CA :: 59.4390 CB :: 34.2490 CG1 :: 23.2520 CG2 :: 22.0000 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 :: 9.0560 HA :: 5.6450 HB :: 1.8960 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 0.9730 HG22 :: 0.9730 HG23 :: 0.9730 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.8120 Ave N Shift Values>> N :: 121.14(4.54) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 T 0.43 C Shift Assignments>> C :: 173.5650 CA :: 59.7700 CB :: 71.2610 CG2 :: 23.3600 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 :: 9.0300 HA :: 5.3080 HB :: 4.5110 HG21 :: 1.3370 HG22 :: 1.3370 HG23 :: 1.3370 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 :: 117.1230 Ave N Shift Values>> N :: 115.42(4.75) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.8700 CA :: 60.9860 CB :: 39.2200 CG1 :: 27.2700 CG2 :: 17.7130 CD1 :: 12.6000 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 :: 7.5060 HA :: 4.2110 HB :: 1.3660 HG12 :: 0.9860 HG13 :: 0.2550 HG21 :: 0.6940 HG22 :: 0.6940 HG23 :: 0.6940 HD11 :: -0.1250 HD12 :: -0.1250 HD13 :: -0.1250 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 :: 118.2480 Ave N Shift Values>> N :: 121.46(4.28) 1.H112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.13 H 0.12 Q 0.09 K 0.06 M 0.05 V 0.02 I 0.01 C Shift Assignments>> C :: 176.0280 CA :: 58.2240 CB :: 30.5000 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 :: 9.1790 HA :: 4.6790 HB2 :: 3.1840 HB3 :: 3.1840 HD1 :: 6.8320 HD2 :: 6.8320 HE1 :: 6.9940 HE2 :: 6.9940 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 :: 131.7480 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.66 C 0.26 N 0.04 E 0.01 HN Overlap>> 1.A154 1.A154 C Shift Assignments>> C :: 176.8800 CA :: 54.1360 CB :: 39.2200 CG :: 180.6710 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 :: 8.0350 HA :: 4.1800 HB2 :: 2.8480 HB3 :: 1.3110(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.4360 Ave N Shift Values>> N :: 120.65(3.86) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.34 C 0.08 I 0.06 V 0.05 L 0.02 T 0.01 C Shift Assignments>> C :: 179.6900 CA :: 56.2350 CB :: 19.3330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.9940 HA :: 3.5210 HB1 :: 1.4850 HB2 :: 1.4850 HB3 :: 1.4850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.5610 Ave N Shift Values>> N :: 123.23(3.54) 1.Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.23 K 0.18 R 0.09 E 0.04 I 0.03 C Shift Assignments>> C :: 179.2160 CA :: 58.9970 CB :: 27.7300 CG :: 33.8740 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 :: 7.9610 HA :: 4.1520 HB2 :: 2.1010 HB3 :: 2.1010 HG2 :: 2.4240 HG3 :: 2.4240 HE21 :: 6.8160 HE22 :: 7.5660 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 :: 114.5920 NE2 :: 111.8830 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 180.1000 CA :: 54.4670 CB :: 18.4500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4590 HA :: 4.1220 HB1 :: 1.4120 HB2 :: 1.4120 HB3 :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.3110 Ave N Shift Values>> N :: 123.23(3.54) 1.R117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.4 G 0.08 K 0.05 HN Overlap>> 1.S90 1.S90 C Shift Assignments>> C :: 174.8280 CA :: 56.8980 CB :: 29.9400 CG :: 28.0300 CD :: 43.5590 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 :: 7.7840 HA :: 4.1370 HB2 :: 1.9820 HB3 :: 1.9820 HG2 :: 1.6610 HG3 :: 1.4120 HD2 :: 3.0980 HD3 :: 3.0980 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 :: 113.4670 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.R118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.33 R 0.15 G 0.07 K 0.05 C Shift Assignments>> C :: 175.5540 CA :: 56.6770 CB :: 26.6250 CG :: 27.2700 CD :: 43.3420 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 :: 7.8140 HA :: 3.9580 HB2 :: 2.1150 HB3 :: 1.9400 HG2 :: 1.6170 HG3 :: 1.6170 HD2 :: 3.2720 HD3 :: 3.2720 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 :: 118.2480 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.Q119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.32 Q 0.12 E 0.03 C Shift Assignments>> C :: 174.6700 CA :: 54.2460 CB :: 32.7020 CG :: 33.8940 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 :: 7.7550 HA :: 4.9580 HB2 :: 1.6610 HB3 :: 1.6610 HG2 :: 2.3930 HG3 :: 2.2170 HE21 :: 6.7110 HE22 :: 7.3300 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 :: 116.2800 NE2 :: 111.5200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5230 CA :: 57.3400 CB :: 65.0740 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.9050 HA :: 4.1810 HB2 :: 3.9750 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 :: 109.2480 Ave N Shift Values>> N :: 116.28(3.52) 1.F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.33 C 0.26 C Shift Assignments>> C :: 176.9750 CA :: 62.7530 CB :: 37.6740 CD1 :: 132.0300 CD2 :: 132.0300 CE1 :: 131.7800 CE2 :: 131.7800 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 :: 8.1510 HA :: 3.9760 HB2 :: 3.2140 HB3 :: 2.6270 HD1 :: 7.2490 HD2 :: 7.2490 HE1 :: 6.7600 HE2 :: 6.7600 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 :: 117.4050 Ave N Shift Values>> N :: 120.45(4.18) 1.G122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 175.2390 CA :: 46.2910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.1910 HA2 :: 4.5330 HA3 :: 4.0040 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.7800 Ave N Shift Values>> N :: 109.67(3.87) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 M 0.23 E 0.13 K 0.1 C Shift Assignments>> C :: 174.7330 CA :: 55.7930 CB :: 30.7130 CG :: 34.3290 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 :: 7.3880 HA :: 4.2700 HB2 :: 2.4830 HB3 :: 2.1590 HG2 :: 2.3250 HG3 :: 2.3250 HE21 :: 7.0630 HE22 :: 7.5500 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 :: 115.9980 NE2 :: 110.3280 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 1.V73 1.V102 1.V73 1.V102 C Shift Assignments>> C :: 174.7650 CA :: 60.1020 CB :: 31.7080 CG1 :: 22.4920 CG2 :: 20.3200 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 :: 7.6960 HA :: 3.5660 HB :: 1.7680 HG11 :: 0.9200 HG12 :: 0.9200 HG13 :: 0.9200 HG21 :: 0.2500 HG22 :: 0.2500 HG23 :: 0.2500 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 :: 121.6230 Ave N Shift Values>> N :: 121.14(4.54) 1.S125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.A50 1.A50 C Shift Assignments>> C :: 174.8280 CA :: 59.1070 CB :: 63.7480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.1180 HA :: 4.4870 HB2 :: 4.0340 HB3 :: 4.0340 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.0300 Ave N Shift Values>> N :: 116.28(3.52) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 174.7020 CA :: 47.2860 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.8100 HA2 :: 4.4890 HA3 :: 3.8290 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.2170 Ave N Shift Values>> N :: 109.67(3.87) 1.A127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.93 M 0.04 C 0.01 HN Overlap>> 1.R162 1.R162 C Shift Assignments>> C :: 177.8900 CA :: 50.6000 CB :: 19.0020 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1060 HA :: 5.8520(S) HB1 :: 1.3240 HB2 :: 1.3240 HB3 :: 1.3240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7800 Ave N Shift Values>> N :: 123.23(3.54) 1.F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.26 C 0.13 G 0.03 HN Overlap>> 1.R130 1.R130 C Shift Assignments>> C :: 171.2610 CA :: 56.0140 CB :: 42.6450 CD1 :: 131.4200 CD2 :: 131.4200 CE1 :: 130.1600 CE2 :: 130.1600 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 :: 9.4260 HA :: 4.9720 HB2 :: 3.0090 HB3 :: 2.8040 HD1 :: 7.1690 HD2 :: 7.1690 HE1 :: 6.9350 HE2 :: 6.9350 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.1550 Ave N Shift Values>> N :: 120.45(4.18) 1.I129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.09 HN Overlap>> 1.S19 1.S19 C Shift Assignments>> C :: 172.0180 CA :: 57.7820 CB :: 41.1460 CG1 :: 27.4870 CG2 :: 14.3060 CD1 :: 14.8900 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3710 HA :: 5.4690 HB :: 1.3800 HG12 :: 0.1270 HG13 :: 1.2110 HG21 :: 0.5780 HG22 :: 0.5780 HG23 :: 0.5780 HD11 :: 0.2270 HD12 :: 0.2270 HD13 :: 0.2270 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.2800 Ave N Shift Values>> N :: 121.46(4.28) 1.R130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.24 R 0.19 K 0.07 HN Overlap>> 1.F128 1.F128 C Shift Assignments>> C :: 172.3340 CA :: 53.5830 CB :: 34.4700 CG :: 26.4010 CD :: 43.5590 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.4830 HA :: 5.4690 HB2 :: 1.8950 HB3 :: 1.5000 HG2 :: 1.1930 HG3 :: 1.3680 HD2 :: 2.8040 HD3 :: 2.8040 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 :: 124.1550 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.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.35 C 0.16 C Shift Assignments>> C :: 174.7330 CA :: 53.9150 CB :: 45.0760 CG :: 27.2700 CD1 :: 25.0980 CD2 :: 25.0980 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 :: 8.9420 HA :: 5.1490 HB2 :: 1.3100 HB3 :: 0.9570 HG :: 1.1930 HD11 :: 0.3120 HD12 :: 0.3120 HD13 :: 0.3120 HD21 :: 0.1360 HD22 :: 0.1360 HD23 :: 0.1360 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 :: 122.7480 Ave N Shift Values>> N :: 121.86(3.9) 1.V132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.3 C Shift Assignments>> C :: 174.9860 CA :: 60.3230 CB :: 36.0160 CG1 :: 21.2970 CG2 :: 19.7770 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 :: 9.9520 HA :: 4.5760 HB :: 2.0420 HG11 :: 0.8110 HG12 :: 0.8110 HG13 :: 0.8110 HG21 :: 0.6820 HG22 :: 0.6820 HG23 :: 0.6820 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 :: 128.9360 Ave N Shift Values>> N :: 121.14(4.54) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 C 0.14 D 0.06 Y 0.05 F 0.04 E 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 175.2390 CA :: 52.6990 CB :: 37.5630 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 :: 8.8990 HA :: 4.6790 HB2 :: 3.6830 HB3 :: 2.4820 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.8730 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 C 0.14 N 0.13 G 0.03 C Shift Assignments>> C :: 176.8490 CA :: 54.5780 CB :: 42.5350 CG :: 177.5860 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 :: 8.6040 HA :: 4.6790 HB2 :: 2.3210 HB3 :: 2.0420 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.0920 Ave N Shift Values>> N :: 120.65(3.86) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 C 0.28 N 0.03 C Shift Assignments>> C :: 177.6690 CA :: 56.5660 CB :: 40.6570 CG :: 179.5700 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3850 HA :: 4.6800 HB2 :: 2.8910 HB3 :: 2.7160 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 :: 116.8420 Ave N Shift Values>> N :: 120.65(3.86) 1.N136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 D 0.13 C 0.09 F 0.04 Y 0.03 L 0.02 C Shift Assignments>> C :: 175.0490 CA :: 51.8160 CB :: 38.5580 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 :: 7.0090 HA :: 4.7940 HB2 :: 3.1540 HB3 :: 2.7160 HD21 :: 6.6240 HD22 :: 7.4700 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 :: 113.4670 ND2 :: 109.3250 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.31 Q 0.13 R 0.06 E 0.02 I 0.02 C Shift Assignments>> C :: 175.1120 CA :: 57.2290 CB :: 25.8520 CG :: 34.4370 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 :: 8.1950 HA :: 3.6970 HB2 :: 2.2930 HB3 :: 2.3060 HG2 :: 2.4820 HG3 :: 2.4820 HE21 :: 6.7010 HE22 :: 7.4210 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 :: 114.0300 NE2 :: 114.2310 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T138 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 :: 173.3760 CA :: 61.4280 CB :: 70.5980 CG2 :: 21.0800 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 :: 7.9160 HA :: 4.5030 HB :: 4.0640 HG21 :: 1.1630 HG22 :: 1.1630 HG23 :: 1.1630 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 :: 112.0610 Ave N Shift Values>> N :: 115.42(4.75) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 E 0.22 I 0.07 M 0.05 C Shift Assignments>> C :: 175.5860 CA :: 57.3400 CB :: 30.8240 CG :: 38.2380 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0150 HA :: 4.3800 HB2 :: 1.9840 HB3 :: 1.9840 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 :: 127.2480 Ave N Shift Values>> N :: 120.67(3.48) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.8380 CA :: 63.5270 CB :: 33.2540 CG1 :: 21.1880 CG2 :: 21.1880 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 :: 9.1320 HA :: 4.0050 HB :: 1.6910 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 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 :: 128.6550 Ave N Shift Values>> N :: 121.14(4.54) 1.A141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.15 A 0.13 K 0.09 C Shift Assignments>> C :: 175.3330 CA :: 51.8160 CB :: 23.4210 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6960 HA :: 4.7900 HB1 :: 1.5150 HB2 :: 1.5150 HB3 :: 1.5150 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.8110 Ave N Shift Values>> N :: 123.23(3.54) 1.R142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.29 K 0.24 G 0.04 C Shift Assignments>> C :: 173.4710 CA :: 55.9030 CB :: 33.8070 CG :: 27.7040 CD :: 43.0160 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 :: 8.6790 HA :: 5.1500 HB2 :: 1.8960 HB3 :: 1.7050 HG2 :: 1.5150 HG3 :: 1.2800 HD2 :: 3.0680 HD3 :: 3.0680 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.2170 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.Y143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.31 G 0.07 C Shift Assignments>> C :: 173.8180 CA :: 57.3400 CB :: 42.7560 CD1 :: 132.3700 CD2 :: 132.3700 CE1 :: 116.2510 CE2 :: 116.2510 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 :: 9.5130 HA :: 4.6500 HB2 :: 2.9800 HB3 :: 2.7890 HD1 :: 6.9500 HD2 :: 6.9500 HE1 :: 6.7400 HE2 :: 6.7400 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 :: 128.0920 Ave N Shift Values>> N :: 120.52(4.2) 1.D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.8 C 0.13 N 0.05 C Shift Assignments>> C :: 175.0180 CA :: 53.2520 CB :: 40.3250 CG :: 180.3630 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 :: 8.7650 HA :: 4.6490 HB2 :: 3.0370 HB3 :: 2.3650 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.9360 Ave N Shift Values>> N :: 120.65(3.86) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.4 R 0.04 A 0.01 C Shift Assignments>> C :: 177.3540 CA :: 57.5610 CB :: 41.6510 CG :: 26.4010 CD1 :: 22.3830 CD2 :: 26.1000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9020 HA :: 5.6160 HB2 :: 1.3390 HB3 :: 0.5040 HG :: 1.4550 HD11 :: -0.0100 HD12 :: -0.0100 HD13 :: -0.0100 HD21 :: 0.2840 HD22 :: 0.2840 HD23 :: 0.2840 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 :: 126.6860 Ave N Shift Values>> N :: 121.86(3.9) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.8380 CA :: 67.0620 CB :: 70.1560 CG2 :: 21.6230 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 :: 7.3300 HA :: 4.2100 HB :: 3.7710 HG21 :: 1.4260 HG22 :: 1.4260 HG23 :: 1.4260 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 :: 114.5920 Ave N Shift Values>> N :: 115.42(4.75) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.13 Q 0.08 K 0.04 I 0.02 C Shift Assignments>> C :: 178.6480 CA :: 57.5610 CB :: 30.7130 CG :: 35.8490 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 :: 7.8570 HA :: 4.2400 HB2 :: 1.8660 HB3 :: 1.6900 HG2 :: 2.3060 HG3 :: 2.3060 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.7170 Ave N Shift Values>> N :: 120.67(3.48) 1.D148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.68 C 0.28 N 0.03 C Shift Assignments>> C :: 176.5330 CA :: 56.0140 CB :: 40.2150 CG :: 180.0950 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 :: 8.1200 HA :: 5.0010 HB2 :: 2.8030 HB3 :: 2.6570 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.9980 Ave N Shift Values>> N :: 120.65(3.86) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.03 C 0.01 C Shift Assignments>> C :: 178.6480 CA :: 50.6000 CB :: 19.4440 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8730 HA :: 5.1190 HB1 :: 1.4700 HB2 :: 1.4700 HB3 :: 1.4700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.8420 Ave N Shift Values>> N :: 123.23(3.54) 1.S150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.0380 CA :: 60.9860 CB :: 63.7480 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5450 HA :: 4.2100 HB2 :: 4.0230 HB3 :: 4.0230 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 :: 112.6230 Ave N Shift Values>> N :: 116.28(3.52) 1.T151 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 :: 175.2390 CA :: 61.6490 CB :: 69.0510 CG2 :: 21.6230 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 :: 8.2100 HA :: 4.6790 HB :: 4.5330 HG21 :: 1.2800 HG22 :: 1.2800 HG23 :: 1.2800 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.9670 Ave N Shift Values>> N :: 115.42(4.75) 1.E152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.22 K 0.18 E 0.17 M 0.11 HN Overlap>> 1.V11 1.V11 C Shift Assignments>> C :: 174.8600 CA :: 54.9090 CB :: 29.8290 CG :: 34.6540 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 :: 8.1000 HA :: 4.7670 HB2 :: 2.6880 HB3 :: 2.4860 HG2 :: 2.7000 HG3 :: 2.3640 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 :: 119.9360 Ave N Shift Values>> N :: 120.67(3.48) 1.T153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.9130 CA :: 61.3170 CB :: 70.2660 CG2 :: 22.4370 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 :: 9.3670 HA :: 4.1810 HB :: 3.7560 HG21 :: 1.2220 HG22 :: 1.2220 HG23 :: 1.2220 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 106.2760 Ave N Shift Values>> N :: 115.42(4.75) 1.A154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 A 0.27 C 0.14 K 0.04 HN Overlap>> 1.D113 1.D113 C Shift Assignments>> C :: 176.2800 CA :: 51.5950 CB :: 22.9790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1040 HA :: 5.5580 HB1 :: 1.5440 HB2 :: 1.5440 HB3 :: 1.5440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4360 Ave N Shift Values>> N :: 123.23(3.54) 1.M155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.35 C 0.28 E 0.2 Q 0.13 K 0.02 C Shift Assignments>> C :: 173.5650 CA :: 54.2460 CB :: 35.2430 CG :: 31.3820 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 :: 9.7190 HA :: 5.2940 HB2 :: 1.8660 HB3 :: 1.7490 HG2 :: 2.0420 HG3 :: 1.8900 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 :: 119.3730 Ave N Shift Values>> N :: 120.09(3.57) 1.L156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.29 R 0.07 G 0.01 C Shift Assignments>> C :: 176.1860 CA :: 54.3570 CB :: 42.0930 CG :: 28.2250 CD1 :: 24.9360 CD2 :: 24.9360 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 :: 9.1320 HA :: 4.8550 HB2 :: 1.8510 HB3 :: 1.8510 HG :: 1.7200 HD11 :: 0.8990 HD12 :: 0.8990 HD13 :: 0.8990 HD21 :: 0.9870 HD22 :: 0.9870 HD23 :: 0.9870 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 :: 126.4050 Ave N Shift Values>> N :: 121.86(3.9) 1.F157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.21 C Shift Assignments>> C :: 175.8380 CA :: 57.8920 CB :: 39.4410 CD1 :: 131.6600 CD2 :: 131.6600 CE1 :: 130.8300 CE2 :: 130.8300 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 :: 9.1340 HA :: 4.6190 HB2 :: 3.1400 HB3 :: 3.1400 HD1 :: 7.1400 HD2 :: 7.1400 HE1 :: 6.9060 HE2 :: 6.9060 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 :: 127.9170 Ave N Shift Values>> N :: 120.45(4.18) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 168.8930 CA :: 45.7390 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5200 HA2 :: 4.0330 HA3 :: 3.8900 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.0610 Ave N Shift Values>> N :: 109.67(3.87) 1.E159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 M 0.41 E 0.04 Q 0.03 C Shift Assignments>> C :: 175.3330 CA :: 53.0310 CB :: 33.5860 CG :: 34.9340 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 :: 8.3400 HA :: 5.6500(S) HB2 :: 1.9500 HB3 :: 1.8200 HG2 :: 2.0540 HG3 :: 2.0960 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 :: 116.5090 Ave N Shift Values>> N :: 120.67(3.48) 1.L160 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.47 L 0.28 C 0.18 R 0.05 C Shift Assignments>> C :: 175.7750 CA :: 53.3620 CB :: 44.6340 CG :: 27.1730 CD1 :: 24.6730 CD2 :: 26.9000 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 :: 9.4690 HA :: 5.8800(S) HB2 :: 1.8660 HB3 :: 1.8660 HG :: 2.0560 HD11 :: 1.0300 HD12 :: 1.0300 HD13 :: 1.0300 HD21 :: 0.9870 HD22 :: 0.9870 HD23 :: 0.9870 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 :: 124.7170 Ave N Shift Values>> N :: 121.86(3.9) 1.Y161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 Y 0.36 C Shift Assignments>> C :: 172.6810 CA :: 55.3510 CB :: 41.3200 CD1 :: 131.9970 CD2 :: 131.9970 CE1 :: 115.1270 CE2 :: 115.1270 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 :: 9.6590 HA :: 5.6320 HB2 :: 3.3020 HB3 :: 2.8620 HD1 :: 7.0000 HD2 :: 7.0000 HE1 :: 6.4300 HE2 :: 6.4300 HH :: 9.6290 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.7800 Ave N Shift Values>> N :: 120.52(4.2) 1.R162 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.49 C 0.36 K 0.08 G 0.05 HN Overlap>> 1.A127 1.A127 C Shift Assignments>> C :: 177.1640 CA :: 55.7930 CB :: 30.9340 CG :: 26.6470 CD :: 43.2210 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 :: 8.0190 HA :: 3.9470 HB2 :: 1.3680 HB3 :: 1.0900 HG2 :: -0.6300(S) HG3 :: -0.3020(S) HD2 :: 2.9210 HD3 :: 2.7600 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7800 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.H163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.19 Q 0.17 C 0.17 R 0.07 H 0.07 W 0.05 E 0.03 V 0.02 C Shift Assignments>> CA :: 56.5120 CB :: 33.1690 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 :: 8.8400 HD2 :: 6.9330 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 :: 123.0300 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.19 E 0.11 Y 0.07 M 0.07 F 0.05 D 0.03 K 0.01 C Shift Assignments>> C :: 175.1120 CA :: 53.6940 CB :: 37.0110 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 :: 4.6790 HB2 :: 2.9500 HB3 :: 2.3500 HD21 :: 6.6440 HD22 :: 7.2450 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 :: 111.0490 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G165 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 :: 173.4390 CA :: 45.4080 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4550 HA2 :: 4.1520 HA3 :: 3.5660 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.1860 Ave N Shift Values>> N :: 109.67(3.87) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.4 E 0.14 Q 0.03 C Shift Assignments>> C :: 175.0810 CA :: 54.0250 CB :: 32.8120 CG :: 35.7230 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 :: 7.6860 HA :: 4.7080 HB2 :: 2.0870 HB3 :: 2.0870 HG2 :: 2.2780 HG3 :: 2.2780 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 :: 119.9360 Ave N Shift Values>> N :: 120.67(3.48) 1.W167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 W 0.26 C Shift Assignments>> C :: 175.7440 CA :: 57.1190 CB :: 31.3760 CD1 :: 126.4400 CE3 :: 119.7900 CZ2 :: 113.7200 CZ3 :: 119.5400 CH2 :: 120.7800 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.5910 HA :: 5.0440 HB2 :: 2.8600 HB3 :: 3.0000 HD1 :: 7.2500 HE1 :: 9.6800 HE3 :: 7.1800 HZ2 :: 7.2600 HZ3 :: 7.0000 HH2 :: 6.7700 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.1230 NE1 :: 127.9560 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K168 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 K 0.33 R 0.23 G 0.02 C Shift Assignments>> C :: 173.5970 CA :: 54.0400 CB :: 36.2110 CG :: 25.3310 CD :: 29.0140 CE :: 42.3000 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 :: 8.9580 HA :: 4.6120 HB2 :: 1.5740 HB3 :: 0.7240(S) HG2 :: 1.0330 HG3 :: 1.0330 HD2 :: 1.2820 HD3 :: 1.2540 HE2 :: 3.0000 HE3 :: 2.8490 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 :: 121.6230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.36 C 0.14 G 0.01 C Shift Assignments>> C :: 174.8910 CA :: 55.9030 CB :: 42.3140 CD1 :: 132.0700 CD2 :: 132.0700 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.6650 HA :: 5.8500 HB2 :: 2.8050 HB3 :: 2.8050 HD1 :: 7.0240 HD2 :: 7.0240 HE1 :: 7.0080 HE2 :: 7.0080 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 :: 118.5300 Ave N Shift Values>> N :: 120.45(4.18) 1.R170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.38 K 0.11 G 0.07 C Shift Assignments>> C :: 173.1550 CA :: 54.2460 CB :: 33.2540 CG :: 26.9100 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 :: 8.6040 HA :: 4.4440 HB2 :: 1.7790 HB3 :: 1.7790 HG2 :: 1.7170 HG3 :: 1.7170 HD2 :: 2.8310 HD3 :: 2.8310 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 :: 128.7430 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.A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C 0.01 C Shift Assignments>> C :: 176.9430 CA :: 52.3170 CB :: 18.3390 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4300 HA :: 3.8590 HB1 :: 1.4570 HB2 :: 1.4570 HB3 :: 1.4570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.6550 Ave N Shift Values>> N :: 123.23(3.54) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.8380 CA :: 63.9690 CB :: 33.8070 CG1 :: 21.6480 CG2 :: 20.2000 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 :: 8.3110 HA :: 4.1230 HB :: 1.4600 HG11 :: 0.9000 HG12 :: 0.9000 HG13 :: 0.9000 HG21 :: 0.7600 HG22 :: 0.7600 HG23 :: 0.7600 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.7480 Ave N Shift Values>> N :: 121.14(4.54) 1.G173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 P 0.23 A 0.1 C 0.1 N 0.03 L 0.02 D 0.01 C Shift Assignments>> C :: 173.6600 CA :: 48.0590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8300 HA2 :: 4.0060 HA3 :: 3.5960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.6860 Ave N Shift Values>> N :: 109.67(3.87) 1.Q174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.3 Q 0.13 C Shift Assignments>> C :: 175.2070 CA :: 54.2460 CB :: 32.3700 CG :: 33.0920 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 :: 7.2270 HA :: 4.6490 HB2 :: 2.0100 HB3 :: 1.8690 HG2 :: 2.3040 HG3 :: 2.2770 HE21 :: 6.7100 HE22 :: 7.3350 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.2480 NE2 :: 111.6940 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.3440 CA :: 44.8550 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9580 HA2 :: 4.8250 HA3 :: 3.7870 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.8730 Ave N Shift Values>> N :: 109.67(3.87) 1.Y176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 Y 0.21 G 0.04 HN Overlap>> 1.F107 1.F107 C Shift Assignments>> C :: 175.6810 CA :: 57.0080 CB :: 42.0930 CD1 :: 132.6800 CD2 :: 132.6800 CE1 :: 121.3130 CE2 :: 121.3130 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 :: 7.9310 HA :: 4.8560 HB2 :: 2.8490 HB3 :: 2.4810 HD1 :: 6.9360 HD2 :: 6.9360 HE1 :: 6.7000 HE2 :: 6.7000 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 :: 119.3730 Ave N Shift Values>> N :: 120.52(4.2) 1.A177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.01 C Shift Assignments>> C :: 177.7960 CA :: 51.9260 CB :: 19.3330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7510 HA :: 4.6800 HB1 :: 1.4280 HB2 :: 1.4280 HB3 :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.3730 Ave N Shift Values>> N :: 123.23(3.54) 1.G178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 175.2390 CA :: 45.2970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3420 HA2 :: 4.2420 HA3 :: 3.8590 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5610 Ave N Shift Values>> N :: 109.67(3.87) 1.G179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.0700 CA :: 44.4130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5460 HA2 :: 4.2270 HA3 :: 4.0650 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8420 Ave N Shift Values>> N :: 109.67(3.87) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.43 R 0.03 A 0.01 C Shift Assignments>> C :: 178.3010 CA :: 57.5610 CB :: 41.7620 CG :: 26.5150 CD1 :: 25.7260 CD2 :: 21.7790 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 :: 8.7250 HA :: 4.0940 HB2 :: 1.8930 HB3 :: 1.8930 HG :: 1.8340 HD11 :: 1.1880 HD12 :: 1.1880 HD13 :: 1.1880 HD21 :: 1.1100 HD22 :: 1.1100 HD23 :: 1.1100 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 :: 120.7800 Ave N Shift Values>> N :: 121.86(3.9) 1.A181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.19 I 0.09 C 0.03 C Shift Assignments>> C :: 180.4160 CA :: 56.1240 CB :: 17.7870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.1920 HA :: 3.8010 HB1 :: 1.4570 HB2 :: 1.4570 HB3 :: 1.4570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7550 Ave N Shift Values>> N :: 123.23(3.54) 1.S182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.8490 CA :: 61.2070 CB :: 62.9740 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2570 HA :: 4.2990 HB2 :: 4.0200 HB3 :: 4.0200 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 :: 113.4670 Ave N Shift Values>> N :: 116.28(3.52) 1.V183 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>> C :: 177.2910 CA :: 65.9570 CB :: 31.0450 CG1 :: 22.0030 CG2 :: 20.9130 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 :: 7.4930 HA :: 4.6800 HB :: 2.0140 HG11 :: 0.6230 HG12 :: 0.6230 HG13 :: 0.6230 HG21 :: 0.3140 HG22 :: 0.3140 HG23 :: 0.3140 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 :: 123.3110 Ave N Shift Values>> N :: 121.14(4.54) 1.C184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.38 C 0.1 C Shift Assignments>> C :: 176.8800 CA :: 64.7420 CB :: 26.0730 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3420 HA :: 3.7420 HB2 :: 2.7750 HB3 :: 2.6000 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 :: 114.8730 Ave N Shift Values>> N :: 120.17(4.64) 1.A185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 180.7950 CA :: 54.6880 CB :: 17.7870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.2570 HA :: 4.1250 HB1 :: 1.5140 HB2 :: 1.5140 HB3 :: 1.5140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9360 Ave N Shift Values>> N :: 123.23(3.54) 1.Q186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.25 Q 0.18 K 0.16 M 0.02 C Shift Assignments>> C :: 176.7540 CA :: 57.7820 CB :: 27.2880 CG :: 32.6980 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 :: 7.3460 HA :: 3.8030 HB2 :: 1.7210 HB3 :: 1.5160 HE21 :: 6.5310 HE22 :: 6.8200 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 :: 117.9670 NE2 :: 110.3280 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 Y 0.03 C Shift Assignments>> C :: 174.6070 CA :: 57.6710 CB :: 38.3370 CD1 :: 130.8720 CD2 :: 130.8720 CE1 :: 114.5640 CE2 :: 114.5640 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 :: 6.8480 HA :: 4.7380 HB2 :: 3.2720 HB3 :: 1.8960 HD1 :: 6.4380 HD2 :: 6.4380 HE1 :: 6.2810 HE2 :: 6.2810 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 :: 114.3110 Ave N Shift Values>> N :: 120.52(4.2) 1.G188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1650 CA :: 45.6280 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4050 HA2 :: 4.3870 HA3 :: 3.7730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.7480 Ave N Shift Values>> N :: 109.67(3.87) 1.I189 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.52 C 0.44 A 0.03 C Shift Assignments>> C :: 174.5760 CA :: 57.7820 CB :: 38.3370 CG1 :: 26.2520 CG2 :: 17.4380 CD1 :: 13.7550 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 :: 7.9890 HA :: 4.2990 HB :: 1.5430 HG12 :: 1.4860 HG13 :: 1.2970 HG21 :: 0.6950 HG22 :: 0.6950 HG23 :: 0.6950 HD11 :: 1.7330(S) HD12 :: 1.7330(S) HD13 :: 1.7330(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.9050 Ave N Shift Values>> N :: 121.46(4.28) 1.N190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.11 C 0.09 Y 0.04 F 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 173.0600 CA :: 52.1470 CB :: 38.3370 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 :: 9.3070 HA :: 4.7070 HB2 :: 2.8910 HB3 :: 2.7310 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 :: 127.8110 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.04 C 0.04 C Shift Assignments>> C :: 176.7220 CA :: 50.4900 CB :: 20.9910 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3720 HA :: 5.0610 HB1 :: 1.2810 HB2 :: 1.2810 HB3 :: 1.2810 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.3730 Ave N Shift Values>> N :: 123.23(3.54) 1.S192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2280 CA :: 57.2290 CB :: 64.7420 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4590 HA :: 4.6780 HB2 :: 3.9320 HB3 :: 3.8290 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 :: 115.1790 Ave N Shift Values>> N :: 116.28(3.52) 1.L193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 176.8490 CA :: 55.3510 CB :: 42.4240 CG :: 27.0410 CD1 :: 24.8050 CD2 :: 23.7530 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6370 HA :: 4.4440 HB2 :: 1.6620 HB3 :: 1.6620 HG :: 1.5240 HD11 :: 0.9770 HD12 :: 0.9770 HD13 :: 0.9770 HD21 :: 0.9770 HD22 :: 0.9770 HD23 :: 0.9770 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 :: 124.9980 Ave N Shift Values>> N :: 121.86(3.9) 1.E194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.15 E 0.14 W 0.13 C 0.12 Q 0.12 M 0.08 K 0.06 C Shift Assignments>> CA :: 56.5120 CB :: 30.4470 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 :: 8.2840 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.5370 Ave N Shift Values>> N :: 120.67(3.48) 1.H195 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H196 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H197 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H198 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H199 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H200 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 179 #Clerical: 0 #Suspicious: 20 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 191 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 199 #Suspicious: 1 C Shift Results: #Consistent: 801 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 H Shift Results: #Consistent:1182 #Duplicate: 0 #Unknown: 0 #Suspicious: 26 #Anomalous: 1 N Shift Results: #Consistent: 203 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V25 HG21 = -0.1260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4253e-04 1.V25 HG22 = -0.1260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4253e-04 1.V25 HG23 = -0.1260(S), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4253e-04 1.W29 CD1 = 119.7800(S), Expected = 126.51, Std = 1.8300, ChiSquare = 2.3544e-04 1.S33 HB2 = 1.9420(S), Expected = 3.88, Std = 0.2500, ChiSquare = 9.0456e-15 1.S33 HB3 = 1.7780(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.6662e-14 1.L41 CG = 31.2470(S), Expected = 26.78, Std = 1.1000, ChiSquare = 4.8882e-05 1.L41 H = 5.6450(S), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9813e-05 1.L41 HB3 = -1.1810(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.2479e-14 1.D42 HA = 5.7300(S), Expected = 4.59, Std = 0.3200, ChiSquare = 3.6734e-04 1.A45 HA = 6.0140(S), Expected = 4.26, Std = 0.4400, ChiSquare = 6.7094e-05 1.F60 Typing: Suspicious 1.F60 CD1 = 126.9000(S), Expected = 131.58, Std = 1.1800, ChiSquare = 7.3058e-05 1.F60 CD2 = 126.9000(S), Expected = 131.63, Std = 1.1200, ChiSquare = 2.4084e-05 1.F62 CE2 = 126.9360(S), Expected = 130.76, Std = 1.1300, ChiSquare = 7.1420e-04 1.N64 H = 3.4630(S), Expected = 8.34, Std = 0.6300, ChiSquare = 9.8429e-15 1.N64 SRO Rule Break>> H > HA : 1 1.H75 HE1 = 10.8810(A), Expected = 7.95, Std = 0.4800, ChiSquare = 1.0200e-09 1.G77 H = 11.7550(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.3700e-07 1.G82 HA3 = 1.6030(S), Expected = 3.90, Std = 0.3700, ChiSquare = 5.3626e-10 1.L95 HD21 = -0.4780(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1065e-05 1.L95 HD22 = -0.4780(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1065e-05 1.L95 HD23 = -0.4780(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.1065e-05 1.D96 HB3 = 1.6900(S), Expected = 2.66, Std = 0.2800, ChiSquare = 5.3164e-04 1.D113 HB3 = 1.3110(S), Expected = 2.66, Std = 0.2800, ChiSquare = 1.4511e-06 1.A127 HA = 5.8520(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.9668e-04 1.E159 HA = 5.6500(S), Expected = 4.25, Std = 0.4100, ChiSquare = 6.3868e-04 1.L160 HA = 5.8800(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.0292e-04 1.R162 HG2 = -0.6300(S), Expected = 1.57, Std = 0.2700, ChiSquare = 3.6954e-16 1.R162 HG3 = -0.3020(S), Expected = 1.54, Std = 0.2900, ChiSquare = 2.1291e-10 1.K168 HB3 = 0.7240(S), Expected = 1.74, Std = 0.2700, ChiSquare = 1.6791e-04 1.I189 HD11 = 1.7330(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8229e-04 1.I189 HD12 = 1.7330(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8229e-04 1.I189 HD13 = 1.7330(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8229e-04