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.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.31 L 0.26 K 0.14 F 0.08 N 0.08 Y 0.06 R 0.03 C Shift Assignments>> C :: 175.7770 CA :: 54.2670 CB :: 41.4980 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>> HA :: 4.8300 HB2 :: 2.8300 HB3 :: 2.6670 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) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.8620 CA :: 58.4060 CB :: 63.7290 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4410 HA :: 4.5430 HB2 :: 3.9820 HB3 :: 3.8650 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 :: 118.0810 Ave N Shift Values>> N :: 116.28(3.52) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.3230 CA :: 62.5340 CB :: 70.3040 CG2 :: 21.1800 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 :: 8.0550 HA :: 4.7230 HB :: 3.7820 HG21 :: 0.5000 HG22 :: 0.5000 HG23 :: 0.5000 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 :: 119.9250 Ave N Shift Values>> N :: 115.42(4.75) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.5850 CA :: 61.8950 CB :: 33.3560 CG1 :: 20.4000 CG2 :: 20.4000 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 :: 9.0660 HA :: 4.0780 HB :: 1.7810 HG11 :: 0.7690 HG12 :: 0.7690 HG13 :: 0.7690 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 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 :: 128.4230 Ave N Shift Values>> N :: 121.14(4.54) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.9090 CA :: 57.5170 CB :: 38.1690 CD1 :: 133.3500 CD2 :: 133.3500 CE1 :: 118.1000 CE2 :: 118.1000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4690 HA :: 4.7410 HB2 :: 2.7540 HB3 :: 2.8620 HD1 :: 7.0500 HD2 :: 7.0500 HE1 :: 6.7420 HE2 :: 6.7420 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 :: 127.9100 Ave N Shift Values>> N :: 120.52(4.2) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.6050 CA :: 63.4150 CB :: 31.5480 CG1 :: 20.7500 CG2 :: 22.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6460 HA :: 2.6280 HB :: 1.6420 HG11 :: 0.5140 HG12 :: 0.5140 HG13 :: 0.5140 HG21 :: 0.3960 HG22 :: 0.3960 HG23 :: 0.3960 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.8070 Ave N Shift Values>> N :: 121.14(4.54) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.5850 CA :: 45.2730 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.7310 HA2 :: 4.4100 HA3 :: 3.6840 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.8730 Ave N Shift Values>> N :: 109.67(3.87) 1.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.23 F 0.08 Y 0.07 L 0.07 C Shift Assignments>> C :: 176.5440 CA :: 53.1800 CB :: 39.1700 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 :: 4.8970 HB2 :: 2.8930 HB3 :: 2.9640 HD21 :: 7.6210 HD22 :: 6.8960 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> ND2 :: 112.5100 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.32 G 0.01 C Shift Assignments>> C :: 175.3220 CA :: 56.1690 CB :: 32.2060 CG :: 25.5900 CD :: 29.1600 CE :: 42.2900 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 :: 8.0130 HA :: 4.4810 HB2 :: 1.7650 HB3 :: 1.6040 HG2 :: 1.4550 HG3 :: 1.5890 HD2 :: 1.5920 HD3 :: 1.5920 HE2 :: 3.0180 HE3 :: 3.0180 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.3400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.8310 CA :: 45.5490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1840 HA2 :: 4.0450 HA3 :: 3.8850 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.4890 Ave N Shift Values>> N :: 109.67(3.87) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.0760 CA :: 66.9300 CB :: 32.8300 CG1 :: 21.3200 CG2 :: 23.2900 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 :: 8.5530 HA :: 3.7920 HB :: 2.2080 HG11 :: 1.0480 HG12 :: 1.0480 HG13 :: 1.0480 HG21 :: 1.2260 HG22 :: 1.2260 HG23 :: 1.2260 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.7870 Ave N Shift Values>> N :: 121.14(4.54) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.1580 CA :: 65.9000 CB :: 68.2000 CG2 :: 22.3600 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 :: 8.3460 HA :: 3.8220 HB :: 4.1930 HG21 :: 1.2600 HG22 :: 1.2600 HG23 :: 1.2600 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.8350 Ave N Shift Values>> N :: 115.42(4.75) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.27 N 0.09 I 0.08 E 0.08 D 0.06 L 0.03 M 0.02 C Shift Assignments>> C :: 177.6690 CA :: 56.8090 CB :: 38.2670 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 :: 7.6460 HA :: 4.2650 HB2 :: 2.3630 HB3 :: 2.3630 HD21 :: 6.9540 HD22 :: 6.9540 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 :: 119.7810 ND2 :: 112.9700 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.4780 CA :: 60.1970 CB :: 38.6860 CD1 :: 133.4000 CD2 :: 133.4000 CE1 :: 120.2000 CE2 :: 120.2000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.0760 HA :: 4.4340 HB2 :: 2.9930 HB3 :: 2.9930 HD1 :: 7.0340 HD2 :: 7.0340 HE1 :: 7.0340 HE2 :: 7.0340 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 :: 118.1590 Ave N Shift Values>> N :: 120.52(4.2) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.8380 CA :: 67.1770 CB :: 31.8900 CG1 :: 20.6800 CG2 :: 25.1000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3030 HA :: 3.3940 HB :: 2.1900 HG11 :: 0.8860 HG12 :: 0.8860 HG13 :: 0.8860 HG21 :: 1.3120 HG22 :: 1.3120 HG23 :: 1.3120 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 :: 121.0290 Ave N Shift Values>> N :: 121.14(4.54) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.32 R 0.11 E 0.1 I 0.06 M 0.01 C Shift Assignments>> C :: 178.4480 CA :: 59.0090 CB :: 27.9600 CG :: 34.0640 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 :: 8.0570 HA :: 4.1080 HB2 :: 2.1720 HB3 :: 2.1720 HG2 :: 2.4200 HG3 :: 2.4950 HE21 :: 7.3380 HE22 :: 6.7750 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 :: 117.9100 NE2 :: 111.5200 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.31 I 0.06 C Shift Assignments>> C :: 180.3670 CA :: 55.6850 CB :: 18.1830 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5310 HA :: 4.2500 HB1 :: 1.7060 HB2 :: 1.7060 HB3 :: 1.7060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.6760 Ave N Shift Values>> N :: 123.23(3.54) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.2970 CA :: 67.0500 CB :: 31.3590 CG1 :: 22.8500 CG2 :: 22.8500 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 :: 8.0960 HA :: 3.3030 HB :: 2.2650 HG11 :: 0.9440 HG12 :: 0.9440 HG13 :: 0.9440 HG21 :: 0.8280 HG22 :: 0.8280 HG23 :: 0.8280 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.7970 Ave N Shift Values>> N :: 121.14(4.54) 1.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.26 E 0.23 I 0.16 R 0.02 M 0.01 C Shift Assignments>> C :: 178.1950 CA :: 60.1900 CB :: 28.9000 CG :: 34.6500 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 :: 8.6120 HA :: 4.0350 HB2 :: 2.2850 HB3 :: 2.2850 HG2 :: 2.3490 HG3 :: 2.5190 HE21 :: 7.1490 HE22 :: 6.6970 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 :: 118.0630 NE2 :: 109.4800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.1210 CA :: 66.9610 CB :: 69.0570 CG2 :: 21.7700 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 :: 8.6790 HA :: 4.0660 HB :: 4.3420 HG21 :: 1.2850 HG22 :: 1.2850 HG23 :: 1.2850 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 :: 116.2030 Ave N Shift Values>> N :: 115.42(4.75) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.3 R 0.22 I 0.04 E 0.04 M 0.01 C Shift Assignments>> C :: 177.8420 CA :: 59.2470 CB :: 27.6010 CG :: 33.5120 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 :: 7.6930 HA :: 3.8490 HB2 :: 1.8470 HB3 :: 1.8470 HG2 :: 2.1970 HG3 :: 2.4350 HE21 :: 7.2060 HE22 :: 6.7820 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.3450 NE2 :: 111.3000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.7120 CA :: 59.9160 CB :: 39.2450 CD1 :: 131.1000 CD2 :: 131.1000 CE1 :: 130.9300 CE2 :: 130.9300 CZ :: 129.0000 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 :: 7.6770 HA :: 4.6530 HB2 :: 2.7980 HB3 :: 3.0190 HD1 :: 7.0470 HD2 :: 7.0470 HE1 :: 6.7650 HE2 :: 6.7650 HZ :: 6.7780 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 :: 114.9070 Ave N Shift Values>> N :: 120.45(4.18) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.18 Y 0.16 F 0.15 L 0.06 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 176.2840 CA :: 54.6270 CB :: 38.7370 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 :: 8.6280 HA :: 4.8790 HB2 :: 2.9780 HB3 :: 2.9780 HD21 :: 7.5690 HD22 :: 6.7600 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 :: 116.0540 ND2 :: 110.0500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.9390 CA :: 63.9970 CB :: 69.6080 CG2 :: 21.8300 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 :: 8.2070 HA :: 4.4990 HB :: 4.4200 HG21 :: 1.2780 HG22 :: 1.2780 HG23 :: 1.2780 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 :: 114.8660 Ave N Shift Values>> N :: 115.42(4.75) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 K 0.25 Q 0.24 I 0.03 M 0.02 R 0.01 C Shift Assignments>> C :: 176.4660 CA :: 56.1950 CB :: 28.8800 CG :: 35.5000 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 :: 7.6830 HA :: 4.4390 HB2 :: 2.1730 HB3 :: 2.2870 HG2 :: 2.3010 HG3 :: 2.1350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.3050 Ave N Shift Values>> N :: 120.67(3.48) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 Y 0.13 F 0.1 E 0.1 D 0.07 M 0.05 L 0.02 I 0.01 C Shift Assignments>> C :: 174.5810 CA :: 54.2330 CB :: 37.5680 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 :: 7.6250 HA :: 4.5380 HB2 :: 3.0600 HB3 :: 2.7400 HD21 :: 7.4990 HD22 :: 6.7930 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.2170 ND2 :: 112.5500 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.13 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> C :: 177.5200 CA :: 53.1890 CB :: 19.2500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0340 HA :: 4.2060 HB1 :: 1.1410 HB2 :: 1.1410 HB3 :: 1.1410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1470 Ave N Shift Values>> N :: 123.23(3.54) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.74 R 0.23 G 0.02 C Shift Assignments>> C :: 175.8950 CA :: 57.0880 CB :: 33.8700 CG :: 25.0900 CD :: 28.9300 CE :: 42.4000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5910 HA :: 4.5340 HB2 :: 2.0180 HB3 :: 1.8670 HG2 :: 1.5650 HG3 :: 1.5650 HD2 :: 1.7700 HD3 :: 1.7400 HE2 :: 3.0460 HE3 :: 3.0460 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.32 Q 0.01 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 175.2090 CA :: 54.4510 CB :: 33.6080 CG :: 36.5900 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 :: 7.6610 HA :: 5.5580 HB2 :: 1.8800 HB3 :: 1.8800 HG2 :: 2.1760 HG3 :: 2.0830 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 :: 116.6170 Ave N Shift Values>> N :: 120.67(3.48) 1.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.7860 CA :: 61.1130 CB :: 35.9520 CG1 :: 21.7300 CG2 :: 21.4600 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 :: 8.6700 HA :: 4.3380 HB :: 1.3490 HG11 :: 0.0200 HG12 :: 0.0200 HG13 :: 0.0200 HG21 :: 0.6370 HG22 :: 0.6370 HG23 :: 0.6370 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 :: 121.8210 Ave N Shift Values>> N :: 121.14(4.54) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 R 0.44 G 0.07 C Shift Assignments>> C :: 174.2050 CA :: 54.4820 CB :: 31.5880 CG :: 29.0800 CD :: 42.9700 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 :: 8.5520 HA :: 5.1320 HB2 :: 1.7790 HB3 :: 1.5150 HG2 :: 1.3570 HG3 :: 1.6180 HD2 :: 3.1810 HD3 :: 3.0600 HE :: 7.2320 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.5320 NE :: 84.8900 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.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.1260 CA :: 60.0710 CB :: 40.2420 CG1 :: 27.3800 CG2 :: 18.0400 CD1 :: 14.4800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.2920 HA :: 4.7680 HB :: 1.7040 HG12 :: 1.5690 HG13 :: 0.6610 HG21 :: 0.7340 HG22 :: 0.7340 HG23 :: 0.7340 HD11 :: 0.7450 HD12 :: 0.7450 HD13 :: 0.7450 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 :: 124.6560 Ave N Shift Values>> N :: 121.46(4.28) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.86 K 0.1 G 0.02 C Shift Assignments>> C :: 174.2430 CA :: 54.5950 CB :: 37.1400 CG :: 26.5800 CD :: 29.8200 CE :: 42.1300 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 :: 8.4670 HA :: 5.3670 HB2 :: 1.1030 HB3 :: 1.7560 HG2 :: 1.2530 HG3 :: 1.1800 HD2 :: 1.5380 HD3 :: 1.5380 HE2 :: 2.8910 HE3 :: 2.7740 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.2830 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 K 0.17 R 0.1 Q 0.02 H 0.02 C Shift Assignments>> C :: 174.8980 CA :: 51.0130 CB :: 25.4250(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2920 HA :: 4.6660 HB1 :: 1.1400 HB2 :: 1.1400 HB3 :: 1.1400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.2820 Ave N Shift Values>> N :: 123.23(3.54) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 R 0.14 HN Overlap>> 1.I83 1.I83 C Shift Assignments>> C :: 176.8260 CA :: 53.9800 CB :: 34.1740 CG :: 26.5500 CD :: 44.5600 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 :: 8.6380 HA :: 5.3300 HB2 :: 1.7750 HB3 :: 1.7750 HG2 :: 1.6180 HG3 :: 1.6180 HD2 :: 3.1250 HD3 :: 3.1250 HE :: 7.4290 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 :: 116.6850 NE :: 83.8400 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.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.9350 CA :: 46.5700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.2220 HA2 :: 4.0180 HA3 :: 4.0180 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.0130 Ave N Shift Values>> N :: 109.67(3.87) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.72 R 0.25 G 0.01 C Shift Assignments>> C :: 178.2170 CA :: 58.7590 CB :: 31.9670 CG :: 25.3400 CD :: 29.3200 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>> HA :: 4.1280 HB2 :: 2.0050 HB3 :: 1.9460 HG2 :: 1.6350 HG3 :: 1.6010 HD2 :: 1.8000 HD3 :: 1.8000 HE2 :: 3.1000 HE3 :: 3.1000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.23 C Shift Assignments>> C :: 177.5060 CA :: 53.5220 CB :: 18.7170 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7690 HA :: 4.2540 HB1 :: 1.6240 HB2 :: 1.6240 HB3 :: 1.6240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9100 Ave N Shift Values>> N :: 123.23(3.54) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.M49 1.M49 C Shift Assignments>> C :: 177.4220 CA :: 66.5140 CB :: 37.5690 CG1 :: 29.7200 CG2 :: 16.5100 CD1 :: 13.6700 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 :: 8.0520 HA :: 3.2480 HB :: 1.6210 HG12 :: 1.6320 HG13 :: 0.6460 HG21 :: 0.6600 HG22 :: 0.6600 HG23 :: 0.6600 HD11 :: 0.7140 HD12 :: 0.7140 HD13 :: 0.7140 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.4220 Ave N Shift Values>> N :: 121.46(4.28) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.7490 CA :: 62.1900 CB :: 62.6300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2490 HA :: 3.7670 HB2 :: 3.9360 HB3 :: 3.9360 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.5230 Ave N Shift Values>> N :: 116.28(3.52) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.11 K 0.09 L 0.02 C Shift Assignments>> C :: 177.8010 CA :: 58.2120 CB :: 29.2200 CG :: 28.1200 CD :: 43.2600 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 :: 6.6790 HA :: 4.2670 HB2 :: 1.8500 HB3 :: 1.9990 HG2 :: 1.6690 HG3 :: 1.8140 HD2 :: 3.5210 HD3 :: 3.3640 HE :: 7.4810 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 :: 121.6100 NE :: 84.3000 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.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.25 I 0.06 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 178.7050 CA :: 55.6320 CB :: 17.6560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0760 HA :: 3.7280 HB1 :: 1.2240 HB2 :: 1.2240 HB3 :: 1.2240 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.2160 Ave N Shift Values>> N :: 123.23(3.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.7280 CA :: 67.3030 CB :: 30.5950 CG1 :: 23.2700 CG2 :: 22.9600 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 :: 7.3780 HA :: 3.5910 HB :: 2.2410 HG11 :: 0.9780 HG12 :: 0.9780 HG13 :: 0.9780 HG21 :: 1.2050 HG22 :: 1.2050 HG23 :: 1.2050 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2080 Ave N Shift Values>> N :: 121.14(4.54) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.29 L 0.11 I 0.09 K 0.08 D 0.07 C Shift Assignments>> C :: 179.2770 CA :: 58.1540 CB :: 40.5750 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 :: 7.8840 HA :: 4.1590 HB2 :: 2.6870 HB3 :: 3.1850 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.3350 Ave N Shift Values>> N :: 120.65(3.86) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.7510 CA :: 66.1080 CB :: 31.6790 CG1 :: 20.8400 CG2 :: 24.7700 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 :: 8.3390 HA :: 3.4760 HB :: 2.3740 HG11 :: 0.7740 HG12 :: 0.7740 HG13 :: 0.7740 HG21 :: 1.3370 HG22 :: 1.3370 HG23 :: 1.3370 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.8140 Ave N Shift Values>> N :: 121.14(4.54) 1.E47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.64 E 0.15 Q 0.08 K 0.08 R 0.02 HN Overlap>> 1.A56 1.A56 C Shift Assignments>> C :: 177.2320 CA :: 61.3020 CB :: 27.5140 CG :: 35.2300 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 :: 8.1550 HA :: 3.5810 HB2 :: 2.8700(S) HB3 :: 1.8430 HG2 :: 2.4240 HG3 :: 2.1500 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 :: 120.0860 Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.19 Q 0.16 K 0.08 I 0.04 C Shift Assignments>> C :: 179.0950 CA :: 58.5700 CB :: 30.7250 CG :: 35.4700 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 :: 9.0210 HA :: 3.6680 HB2 :: 2.0530 HB3 :: 1.8860 HG2 :: 2.4440 HG3 :: 2.3530 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 :: 119.2120 Ave N Shift Values>> N :: 120.67(3.48) 1.M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 HN Overlap>> 1.I40 1.I40 C Shift Assignments>> C :: 179.2720 CA :: 59.1690 CB :: 32.4290 CG :: 32.9300 CE :: 17.1000 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 :: 8.1530 HA :: 4.2210 HB2 :: 2.0170 HB3 :: 2.2210 HG2 :: 2.7290 HG3 :: 2.5150 HE1 :: 2.0890 HE2 :: 2.0890 HE3 :: 2.0890 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.4660 Ave N Shift Values>> N :: 120.09(3.57) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.4060 CA :: 67.1300 CB :: 31.6080 CG1 :: 21.7800 CG2 :: 24.3000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4240 HA :: 3.6320 HB :: 2.3090 HG11 :: 0.9960 HG12 :: 0.9960 HG13 :: 0.9960 HG21 :: 1.1600 HG22 :: 1.1600 HG23 :: 1.1600 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 :: 119.1050 Ave N Shift Values>> N :: 121.14(4.54) 1.R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.35 K 0.04 C Shift Assignments>> C :: 178.0320 CA :: 60.4400 CB :: 30.6000 CG :: 28.0100 CD :: 43.8700 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 :: 8.5220 HA :: 3.8890 HB2 :: 1.8070 HB3 :: 1.8070 HG2 :: 1.4700 HG3 :: 1.6990 HD2 :: 3.4080 HD3 :: 3.1460 HE :: 7.3700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2140 NE :: 83.2400 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.25 D 0.17 N 0.14 L 0.09 I 0.04 E 0.01 C Shift Assignments>> C :: 176.6420 CA :: 56.0630 CB :: 39.1490 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 :: 7.8920 HA :: 4.5110 HB2 :: 2.7150 HB3 :: 2.8630 HD21 :: 7.5450 HD22 :: 6.6450 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 :: 113.8460 ND2 :: 112.5200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.09 K 0.09 C Shift Assignments>> C :: 176.7370 CA :: 57.4000 CB :: 30.6000 CG :: 27.1000 CD :: 43.2800 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 :: 7.6650 HA :: 4.2010 HB2 :: 1.6200 HB3 :: 1.7610 HG2 :: 1.4420 HG3 :: 1.3380 HD2 :: 3.0190 HD3 :: 2.9820 HE :: 7.1140 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.6630 NE :: 84.7200 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.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.9770 CA :: 57.8150 CB :: 39.5710 CD1 :: 132.2800 CD2 :: 132.2800 CE1 :: 130.7800 CE2 :: 130.7800 CZ :: 132.7800 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 :: 7.8740 HA :: 4.7080 HB2 :: 2.8100 HB3 :: 3.2100 HD1 :: 7.4000 HD2 :: 7.4000 HE1 :: 7.2900 HE2 :: 7.2900 HZ :: 7.2900 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 :: 117.7620 Ave N Shift Values>> N :: 120.45(4.18) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 177.2230 CA :: 57.2300 CB :: 41.4910 CG :: 26.9000 CD1 :: 25.0700 CD2 :: 24.0000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7640 HA :: 4.2140 HB2 :: 1.8080 HB3 :: 1.5790 HG :: 1.6070 HD11 :: 0.9120 HD12 :: 0.9120 HD13 :: 0.9120 HD21 :: 0.9230 HD22 :: 0.9230 HD23 :: 0.9230 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.5470 Ave N Shift Values>> N :: 121.86(3.9) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 HN Overlap>> 1.E47 1.E47 C Shift Assignments>> C :: 177.5770 CA :: 52.9920 CB :: 18.9810 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1730 HA :: 4.3230 HB1 :: 1.4050 HB2 :: 1.4050 HB3 :: 1.4050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0860 Ave N Shift Values>> N :: 123.23(3.54) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.66 M 0.24 I 0.03 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.2770 CA :: 57.2450 CB :: 31.1770 CG :: 36.7400 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2110 HA :: 4.3700 HB2 :: 1.9890 HB3 :: 2.1760 HG2 :: 2.3060 HG3 :: 2.3890 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 :: 116.4380 Ave N Shift Values>> N :: 120.67(3.48) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E30 1.E30 C Shift Assignments>> C :: 173.8350 CA :: 59.8800 CB :: 35.1170 CG1 :: 21.3700 CG2 :: 22.2800 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 :: 7.6120 HA :: 4.8980 HB :: 1.7000 HG11 :: 0.3240 HG12 :: 0.3240 HG13 :: 0.3240 HG21 :: 0.4820 HG22 :: 0.4820 HG23 :: 0.4820 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.5240 Ave N Shift Values>> N :: 121.14(4.54) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.11 A 0.06 G 0.05 C Shift Assignments>> C :: 175.0880 CA :: 53.8900 CB :: 36.3900 CG :: 24.0980 CD :: 29.1900 CE :: 42.2100 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 :: 8.8220 HA :: 4.7330 HB2 :: 1.7530 HB3 :: 1.7530 HG2 :: 1.3260 HG3 :: 1.1960 HD2 :: 1.6620 HD3 :: 1.6620 HE2 :: 2.9350 HE3 :: 2.9350 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 :: 122.4630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V70 1.V70 C Shift Assignments>> C :: 175.4200 CA :: 63.5860 CB :: 31.2900 CG1 :: 22.0000 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 :: 8.8060 HA :: 4.0850 HB :: 2.0420 HG11 :: 0.8590 HG12 :: 0.8590 HG13 :: 0.8590 HG21 :: 0.8100 HG22 :: 0.8100 HG23 :: 0.8100 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 :: 122.7510 Ave N Shift Values>> N :: 121.14(4.54) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.79 R 0.19 G 0.01 C Shift Assignments>> C :: 176.0740 CA :: 57.9400 CB :: 35.0060 CG :: 24.9000 CD :: 29.6500 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.3720 HA :: 4.2640 HB2 :: 1.6700 HB3 :: 1.5500 HG2 :: 1.4410 HG3 :: 1.2770 HD2 :: 1.5950 HD3 :: 1.4600 HE2 :: 2.9330 HE3 :: 2.9030 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 :: 131.6030 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.29 Q 0.06 C Shift Assignments>> C :: 173.4180 CA :: 55.6120 CB :: 33.2190 CG :: 35.6400 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 :: 7.4640 HA :: 4.6030 HB2 :: 2.0480 HB3 :: 1.8820 HG2 :: 2.0100 HG3 :: 2.0100 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 :: 113.7860 Ave N Shift Values>> N :: 120.67(3.48) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 173.6280 CA :: 60.8000 CB :: 41.3000 CG1 :: 28.5600 CG2 :: 18.1000 CD1 :: 15.0600 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 :: 8.2560 HA :: 4.9000 HB :: 1.5850 HG12 :: 1.5850 HG13 :: 0.8300 HG21 :: 0.7360 HG22 :: 0.7360 HG23 :: 0.7360 HD11 :: 0.8300 HD12 :: 0.8300 HD13 :: 0.8300 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 :: 121.4540 Ave N Shift Values>> N :: 121.46(4.28) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 L 0.24 N 0.15 K 0.08 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 174.5700 CA :: 52.1590 CB :: 41.6790 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 :: 9.1960 HA :: 5.2020 HB2 :: 2.6390 HB3 :: 2.6390 HD21 :: 7.6400 HD22 :: 7.6400 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 :: 122.6000 ND2 :: 116.2000 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 A 0.2 R 0.06 G 0.01 C Shift Assignments>> C :: 176.1740 CA :: 53.1710 CB :: 42.1700 CG :: 26.8200 CD1 :: 26.0500 CD2 :: 22.3300 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 :: 9.2380 HA :: 5.1390 HB2 :: 1.4840 HB3 :: 1.8260 HG :: 1.7500 HD11 :: 0.9040 HD12 :: 0.9040 HD13 :: 0.9040 HD21 :: 0.8720 HD22 :: 0.8720 HD23 :: 0.8720 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 :: 126.9030 Ave N Shift Values>> N :: 121.86(3.9) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 172.1050 CA :: 45.5900 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0350 HA2 :: 4.3500 HA3 :: 3.5530 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.2100 Ave N Shift Values>> N :: 109.67(3.87) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.2490 CA :: 62.5510 CB :: 73.4220 CG2 :: 21.3300 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7870 HA :: 4.9500 HB :: 3.8480 HG21 :: 1.0310 HG22 :: 1.0310 HG23 :: 1.0310 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 :: 113.7700 Ave N Shift Values>> N :: 115.42(4.75) 1.D68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.21 R 0.19 D 0.18 F 0.02 K 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.2970 CA :: 52.2580 CB :: 43.4590 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 :: 9.5310 HA :: 5.0000 HB2 :: 2.3680 HB3 :: 2.4710 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 :: 128.5610 Ave N Shift Values>> N :: 120.65(3.86) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 C Shift Assignments>> C :: 176.3210 CA :: 55.3210 CB :: 33.5800 CG :: 24.5900 CD :: 29.2000 CE :: 42.1000 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 :: 8.3550 HA :: 5.0930 HB2 :: 1.6500 HB3 :: 1.6500 HG2 :: 1.3360 HG3 :: 1.3360 HD2 :: 1.6500 HD3 :: 1.6500 HE2 :: 2.9300 HE3 :: 2.9300 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.7980 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 174.4280 CA :: 60.1940 CB :: 34.7240 CG1 :: 20.1300 CG2 :: 21.3100 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 :: 8.8870 HA :: 4.4170 HB :: 2.0360 HG11 :: 0.7660 HG12 :: 0.7660 HG13 :: 0.7660 HG21 :: 0.8170 HG22 :: 0.8170 HG23 :: 0.8170 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 :: 122.8260 Ave N Shift Values>> N :: 121.14(4.54) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 M 0.28 E 0.17 K 0.15 C Shift Assignments>> C :: 176.1950 CA :: 55.0940 CB :: 30.5100 CG :: 34.3900 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 :: 8.3650 HA :: 4.8230 HB2 :: 1.9420 HB3 :: 1.9420 HG2 :: 2.1900 HG3 :: 2.3130 HE21 :: 7.4380 HE22 :: 6.6860 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.7940 NE2 :: 111.2300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.24 L 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 176.8950 CA :: 51.5380 CB :: 39.4550 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 :: 8.7310 HA :: 4.9030 HB2 :: 2.9400 HB3 :: 3.2470 HD21 :: 7.5850 HD22 :: 6.8060 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 :: 123.5550 ND2 :: 111.3200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.26 D 0.17 L 0.13 N 0.06 I 0.04 K 0.02 C Shift Assignments>> C :: 176.2820 CA :: 56.6460 CB :: 40.0260 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 :: 8.5120 HA :: 4.4010 HB2 :: 2.7490 HB3 :: 2.6370 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 :: 119.4650 Ave N Shift Values>> N :: 120.65(3.86) 1.D74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.21 N 0.16 F 0.1 Y 0.07 K 0.06 C Shift Assignments>> C :: 176.7670 CA :: 54.0370 CB :: 40.8040 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 :: 7.7860 HA :: 4.6470 HB2 :: 2.7520 HB3 :: 2.7520 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.1150 Ave N Shift Values>> N :: 120.65(3.86) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.1680 CA :: 45.1920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1170 HA2 :: 4.2180 HA3 :: 3.6830 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.7090 Ave N Shift Values>> N :: 109.67(3.87) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 175.7160 CA :: 55.4540 CB :: 33.3000 CG :: 24.9900 CD :: 28.9200 CE :: 42.3400 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 :: 7.8060 HA :: 4.4400 HB2 :: 1.7940 HB3 :: 1.7940 HG2 :: 1.4050 HG3 :: 1.3220 HD2 :: 1.6520 HD3 :: 1.6520 HE2 :: 2.9890 HE3 :: 2.9890 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 :: 121.1490 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2610 CA :: 58.1510 CB :: 64.2330 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4250 HA :: 5.0240 HB2 :: 3.6920 HB3 :: 3.6920 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 :: 117.5850 Ave N Shift Values>> N :: 116.28(3.52) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.8580 CA :: 60.1610 CB :: 35.2220 CG1 :: 21.4300 CG2 :: 19.8300 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.9780 HA :: 4.4670 HB :: 2.0920 HG11 :: 0.8870 HG12 :: 0.8870 HG13 :: 0.8870 HG21 :: 0.8330 HG22 :: 0.8330 HG23 :: 0.8330 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 :: 122.4650 Ave N Shift Values>> N :: 121.14(4.54) 1.N79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.27 L 0.07 F 0.06 Y 0.05 HN Overlap>> 1.I63 1.I63 1.E91 1.E91 C Shift Assignments>> C :: 175.1420 CA :: 52.3510 CB :: 39.5450 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 :: 8.2700 HA :: 5.3370 HB2 :: 2.7110 HB3 :: 2.5730 HD21 :: 7.3640 HD22 :: 6.7530 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 :: 121.5090 ND2 :: 111.4200 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 C Shift Assignments>> C :: 173.8140 CA :: 59.9300 CB :: 41.6560 CG1 :: 28.0600 CG2 :: 17.1400 CD1 :: 13.7200 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 :: 9.1340 HA :: 4.5580 HB :: 1.7050 HG12 :: 1.6290 HG13 :: 1.2630 HG21 :: 0.9190 HG22 :: 0.9190 HG23 :: 0.9190 HD11 :: 0.8680 HD12 :: 0.8680 HD13 :: 0.8680 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.7160 Ave N Shift Values>> N :: 121.46(4.28) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7130 CA :: 60.0250 CB :: 64.1630 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0550 HA :: 5.1820 HB2 :: 3.8350 HB3 :: 3.7520 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 :: 124.8110 Ave N Shift Values>> N :: 116.28(3.52) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.2940 CA :: 60.0990 CB :: 71.7780 CG2 :: 21.2600 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 :: 8.9590 HA :: 5.0740 HB :: 4.2410 HG21 :: 1.0120 HG22 :: 1.0120 HG23 :: 1.0120 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 :: 113.6600 Ave N Shift Values>> N :: 115.42(4.75) 1.I83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 G 0.33 A 0.01 HN Overlap>> 1.R36 1.R36 C Shift Assignments>> C :: 171.7570 CA :: 59.8900 CB :: 42.8520 CG1 :: 31.0000 CG2 :: 17.8500 CD1 :: 13.4800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.5380 HA :: 5.0540 HB :: 1.3830 HG12 :: 1.5650 HG13 :: 0.9280 HG21 :: 0.7850 HG22 :: 0.7850 HG23 :: 0.7850 HD11 :: 0.5430 HD12 :: 0.5430 HD13 :: 0.5430 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 :: 116.7190 Ave N Shift Values>> N :: 121.46(4.28) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.37 C Shift Assignments>> C :: 174.2580 CA :: 54.5460 CB :: 33.2530 CG :: 37.0000 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 :: 8.2410 HA :: 5.1950 HB2 :: 2.0860 HB3 :: 1.8650 HG2 :: 1.8260 HG3 :: 1.8260 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 :: 127.0130 Ave N Shift Values>> N :: 120.67(3.48) 1.I85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.3400 CA :: 60.4110 CB :: 41.2120 CG1 :: 27.9700 CG2 :: 18.0900 CD1 :: 14.7300 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.5710 HA :: 4.5080 HB :: 1.7410 HG12 :: 0.8350 HG13 :: 1.5800 HG21 :: 0.8200 HG22 :: 0.8200 HG23 :: 0.8200 HD11 :: 0.6840 HD12 :: 0.6840 HD13 :: 0.6840 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.3770 Ave N Shift Values>> N :: 121.46(4.28) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.0640 CA :: 62.0680 CB :: 32.0940 CG1 :: 20.8300 CG2 :: 21.7100 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 :: 9.0930 HA :: 4.5770 HB :: 2.0730 HG11 :: 0.7730 HG12 :: 0.7730 HG13 :: 0.7730 HG21 :: 0.8010 HG22 :: 0.8010 HG23 :: 0.8010 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.6470 Ave N Shift Values>> N :: 121.14(4.54) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.27 R 0.01 A 0.01 C Shift Assignments>> C :: 175.0900 CA :: 53.0860 CB :: 45.0380 CG :: 26.7900 CD1 :: 24.4300 CD2 :: 26.6400 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.3070 HA :: 5.2500 HB2 :: 2.0380 HB3 :: 1.3950 HG :: 1.7090 HD11 :: 0.8320 HD12 :: 0.8320 HD13 :: 0.8320 HD21 :: 0.8820 HD22 :: 0.8820 HD23 :: 0.8820 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.9490 Ave N Shift Values>> N :: 121.86(3.9) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 E 0.19 Q 0.03 C Shift Assignments>> C :: 174.1020 CA :: 54.0000 CB :: 34.5630 CG :: 35.7000 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 :: 9.1930 HA :: 5.4500 HB2 :: 1.9840 HB3 :: 1.8650 HG2 :: 2.1750 HG3 :: 2.1750 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.6540 Ave N Shift Values>> N :: 120.67(3.48) 1.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 R 0.11 G 0.01 C Shift Assignments>> C :: 175.9820 CA :: 55.3000 CB :: 33.6430 CG :: 24.7000 CD :: 29.2800 CE :: 41.9800 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 :: 8.5050 HA :: 4.4780 HB2 :: 1.6940 HB3 :: 1.1940 HG2 :: 1.1150 HG3 :: 1.2600 HD2 :: 1.4470 HD3 :: 1.3540 HE2 :: 2.8770 HE3 :: 2.8770 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 :: 124.9880 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.07 A 0.03 G 0.03 C Shift Assignments>> C :: 176.6300 CA :: 54.7860 CB :: 42.5540 CG :: 27.2700 CD1 :: 25.0300 CD2 :: 23.4000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3710 HA :: 4.3000 HB2 :: 1.3900 HB3 :: 1.4820 HG :: 1.4410 HD11 :: 0.7890 HD12 :: 0.7890 HD13 :: 0.7890 HD21 :: 0.7700 HD22 :: 0.7700 HD23 :: 0.7700 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 :: 127.3190 Ave N Shift Values>> N :: 121.86(3.9) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.22 Q 0.08 K 0.06 I 0.02 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> C :: 175.8640 CA :: 56.0840 CB :: 30.6480 CG :: 36.2000 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 :: 8.3610 HA :: 4.2590 HB2 :: 1.8710 HB3 :: 1.8710 HG2 :: 2.2060 HG3 :: 2.1350 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5520 Ave N Shift Values>> N :: 120.67(3.48) 1.H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.19 Q 0.18 E 0.17 K 0.1 M 0.09 C Shift Assignments>> C :: 174.5610 CA :: 55.8730 CB :: 30.1450 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 :: 8.4430 HA :: 4.6130 HB2 :: 3.0500 HB3 :: 3.0500 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 :: 120.7110 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H95 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.2 Q 0.19 R 0.17 E 0.17 K 0.14 M 0.07 I 0.01 C Shift Assignments>> CA :: 56.0600 CB :: 29.7800 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.6330 HB2 :: 3.1530 HB3 :: 3.1530 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.2 H 0.19 R 0.18 Q 0.17 K 0.12 M 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 179.0110 CA :: 57.4550 CB :: 30.0140 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 :: 8.1410 HA :: 4.4440 HB2 :: 3.2360 HB3 :: 3.1040 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.3090 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) ########################################################################### Overall Results: #Consistent: 95 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 93 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 406 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 672 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 106 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A35 CB = 25.4250(S), Expected = 19.01, Std = 1.8300, ChiSquare = 4.5581e-04 1.E47 HB2 = 2.8700(S), Expected = 2.02, Std = 0.2100, ChiSquare = 5.1741e-05