Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.82 K 0.16 C Shift Assignments>> C :: 178.2000 CA :: 56.3000 CB :: 30.9000 CD :: 43.4000 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>> HA :: 4.3530 HB2 :: 1.8000 HB3 :: 1.7490 HD2 :: 3.1500 HD3 :: 3.1500 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) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.88 K 0.11 C Shift Assignments>> C :: 178.0000 CA :: 56.1000 CB :: 31.0000 CG :: 27.2000 CD :: 43.4000 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 :: 8.5580 HA :: 4.3060 HB2 :: 1.7740 HB3 :: 1.7300 HG2 :: 1.6150 HG3 :: 1.6150 HD2 :: 3.1330 HD3 :: 3.1330 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.6230 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.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.34 M 0.11 E 0.08 R 0.02 C Shift Assignments>> C :: 177.9000 CA :: 55.5000 CB :: 29.6000 CG :: 33.8000 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 :: 8.5150 HA :: 4.3550 HB2 :: 2.0310 HB3 :: 1.9210 HG2 :: 2.3360 HG3 :: 2.3360 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 :: 122.9620 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.14 A 0.05 C Shift Assignments>> C :: 180.5000 CA :: 54.7000 CB :: 42.9000 CG :: 27.2000 CD1 :: 25.6000 CD2 :: 23.1000 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 :: 8.4800 HA :: 4.5770 HB2 :: 1.6430 HB3 :: 1.5060 HG :: 1.6720 HD11 :: 0.7900 HD12 :: 0.7900 HD13 :: 0.7900 HD21 :: 0.7340 HD22 :: 0.7340 HD23 :: 0.7340 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 :: 124.7550 Ave N Shift Values>> N :: 121.86(3.9) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 S 0.01 C Shift Assignments>> CA :: 60.2000 CB :: 68.2000 CG2 :: 21.9000 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 :: 8.6230 HA :: 4.5960 HB :: 4.7100 HG21 :: 1.3290 HG22 :: 1.3290 HG23 :: 1.3290 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 :: 114.7270 Ave N Shift Values>> N :: 115.42(4.75) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 181.6000 CA :: 65.9000 CB :: 31.6000 CG :: 28.2000 CD :: 50.3000 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 :: 4.2630 HB2 :: 2.3860 HB3 :: 1.9010 HG2 :: 2.2170 HG3 :: 2.0120 HD2 :: 3.8880 HD3 :: 3.9180 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.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 E 0.16 I 0.1 R 0.06 M 0.01 C Shift Assignments>> C :: 181.3000 CA :: 59.5000 CB :: 28.3000 CG :: 34.4000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4390 HA :: 4.0630 HB2 :: 2.0810 HB3 :: 1.9700 HG2 :: 2.4400 HG3 :: 2.4400 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 :: 116.4290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 E 0.21 I 0.04 M 0.04 R 0.02 C Shift Assignments>> C :: 180.6000 CA :: 58.7000 CB :: 29.3000 CG :: 34.4000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7600 HA :: 3.9480 HB2 :: 2.3550 HB3 :: 1.8070 HG2 :: 2.3970 HG3 :: 2.1510 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.1640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.36 E 0.14 R 0.04 I 0.03 M 0.03 C Shift Assignments>> C :: 180.3000 CA :: 58.6000 CB :: 29.0000 CG :: 34.1000 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 :: 8.7870 HA :: 3.8600 HB2 :: 2.1680 HB3 :: 2.0860 HG2 :: 2.3020 HG3 :: 2.3020 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 :: 119.1640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.37 R 0.09 E 0.08 I 0.03 M 0.02 C Shift Assignments>> C :: 180.6000 CA :: 58.9000 CB :: 28.5000 CG :: 33.8000 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 :: 7.9870 HA :: 4.1110 HB2 :: 2.1730 HB3 :: 2.1730 HG2 :: 2.5150 HG3 :: 2.4040 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 :: 118.1390 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 C Shift Assignments>> C :: 181.3000 CA :: 58.1000 CB :: 41.6000 CG :: 27.1000 CD1 :: 24.7000 CD2 :: 24.5000 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 :: 7.4570 HA :: 4.1380 HB2 :: 1.7420 HB3 :: 1.7110 HG :: 1.6150 HD11 :: 0.8100 HD12 :: 0.8100 HD13 :: 0.8100 HD21 :: 0.8100 HD22 :: 0.8100 HD23 :: 0.8100 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 :: 120.6490 Ave N Shift Values>> N :: 121.86(3.9) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Q77 1.V62 1.Q77 1.V62 C Shift Assignments>> C :: 180.7000 CA :: 66.7000 CB :: 31.7000 CG1 :: 21.4000 CG2 :: 23.1000 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 :: 8.1010 HA :: 3.5700 HB :: 2.1250 HG11 :: 0.9100 HG12 :: 0.9100 HG13 :: 0.9100 HG21 :: 1.0060 HG22 :: 1.0060 HG23 :: 1.0060 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 :: 119.7720 Ave N Shift Values>> N :: 121.14(4.54) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.18 E 0.18 N 0.17 M 0.06 D 0.05 I 0.04 L 0.02 K 0.01 C Shift Assignments>> C :: 180.8000 CA :: 56.0000 CB :: 37.6000 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 :: 8.2530 HA :: 4.4540 HB2 :: 2.9970 HB3 :: 2.8520 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.2780 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 E 0.15 R 0.05 I 0.04 M 0.02 C Shift Assignments>> C :: 181.1000 CA :: 58.6000 CB :: 28.8000 CG :: 34.2000 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 :: 8.1120 HA :: 4.1520 HB2 :: 2.2790 HB3 :: 2.1760 HG2 :: 2.5750 HG3 :: 2.3730 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.0790 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 A 0.04 C Shift Assignments>> C :: 180.3000 CA :: 57.3000 CB :: 31.4000 CG :: 32.2000 CE :: 16.5000 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 :: 8.3710 HA :: 4.2660 HB2 :: 2.1880 HB3 :: 2.3040 HG2 :: 2.4880 HG3 :: 2.4880 HE1 :: 1.1750 HE2 :: 1.1750 HE3 :: 1.1750 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.3230 Ave N Shift Values>> N :: 120.09(3.57) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 R 0.05 C Shift Assignments>> C :: 178.4000 CA :: 55.8000 CB :: 33.6000 CD :: 29.8000 CE :: 41.9400 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 :: 7.7980 HA :: 4.4500 HB2 :: 1.9340 HB3 :: 1.9100 HD2 :: 1.6570 HD3 :: 1.6570 HE2 :: 2.8460 HE3 :: 2.8270 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.1790 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 177.7000 CA :: 60.1000 CB :: 33.2000 CG1 :: 18.4000 CG2 :: 21.6000 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 :: 6.8940 HA :: 4.6740 HB :: 2.4640 HG11 :: 0.9500 HG12 :: 0.9500 HG13 :: 0.9500 HG21 :: 0.9320 HG22 :: 0.9320 HG23 :: 0.9320 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 :: 135.7730 Ave N Shift Values>> N :: 121.14(4.54) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 M 0.04 C Shift Assignments>> CA :: 50.2000 CB :: 18.8000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5080 HA :: 4.6530 HB1 :: 1.5230 HB2 :: 1.5230 HB3 :: 1.5230 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.2670 Ave N Shift Values>> N :: 123.23(3.54) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.7000 CA :: 62.9000 CB :: 31.4000 CG :: 28.1000 CD :: 50.4000 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 :: 4.4390 HB2 :: 2.1340 HB3 :: 1.8200 HG2 :: 2.1450 HG3 :: 1.9780 HD2 :: 4.0500 HD3 :: 3.6900 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.I21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.7000 CB :: 39.3000 CG1 :: 27.7000 CG2 :: 17.1000 CD1 :: 12.0440 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 :: 8.6590 HA :: 3.5710 HB :: 1.0430 HG12 :: 1.3760 HG13 :: 0.3830 HG21 :: 0.4620 HG22 :: 0.4620 HG23 :: 0.4620 HD11 :: -0.8890(S) HD12 :: -0.8890(S) HD13 :: -0.8890(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 :: 128.9570 Ave N Shift Values>> N :: 121.46(4.28) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 180.6000 CA :: 62.9000 CB :: 32.6000 CG :: 27.8000 CD :: 50.1000 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 :: 4.2980 HB2 :: 2.4460 HB3 :: 1.6800 HG2 :: 1.9820 HG3 :: 1.7680 HD2 :: 3.5830 HD3 :: 2.8090 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.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.15 C Shift Assignments>> C :: 180.3000 CA :: 60.2000 CB :: 32.4000 CG :: 24.8000 CD :: 29.1000 CE :: 42.2000 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 :: 8.8710 HA :: 3.8480 HB2 :: 1.9130 HB3 :: 1.9830 HG2 :: 1.5130 HG3 :: 1.4470 HD2 :: 1.6890 HD3 :: 1.6890 HE2 :: 2.9720 HE3 :: 2.9720 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 :: 126.0520 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.26 R 0.21 E 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 179.0000 CA :: 58.6000 CB :: 27.4000 CG :: 33.8000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.0380 HA :: 4.1020 HB2 :: 2.0000 HB3 :: 2.0000 HG2 :: 2.4660 HG3 :: 2.3260 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 :: 115.6580 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 A 0.03 C Shift Assignments>> C :: 180.3000 CA :: 56.6000 CB :: 40.9000 CG :: 27.4000 CD1 :: 24.7000 CD2 :: 22.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3090 HA :: 4.2310 HB2 :: 1.6850 HB3 :: 1.3880 HG :: 1.5710 HD11 :: 0.8350 HD12 :: 0.8350 HD13 :: 0.8350 HD21 :: 0.8560 HD22 :: 0.8560 HD23 :: 0.8560 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 :: 117.0880 Ave N Shift Values>> N :: 121.86(3.9) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.04 C Shift Assignments>> C :: 181.3000 CA :: 57.9000 CB :: 42.4000 CG :: 26.3000 CD1 :: 25.1000 CD2 :: 24.3000 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 :: 7.8420 HA :: 3.6990 HB2 :: 1.5610 HB3 :: 1.5100 HG :: 1.4050 HD11 :: 0.7460 HD12 :: 0.7460 HD13 :: 0.7460 HD21 :: 0.6660 HD22 :: 0.6660 HD23 :: 0.6660 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 :: 120.9170 Ave N Shift Values>> N :: 121.86(3.9) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.35 E 0.11 R 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 178.8000 CA :: 57.3000 CB :: 28.5000 CG :: 34.0000 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 :: 7.5050 HA :: 4.0820 HB2 :: 2.0500 HB3 :: 2.0500 HG2 :: 2.4250 HG3 :: 2.4250 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 :: 112.1120 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.93 K 0.06 C Shift Assignments>> C :: 177.9000 CA :: 56.6000 CB :: 30.7000 CG :: 27.4000 CD :: 43.8000 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 :: 7.4880 HA :: 4.1870 HB2 :: 2.1040 HB3 :: 1.9500 HG2 :: 1.8920 HG3 :: 1.6910 HD2 :: 3.2350 HD3 :: 3.1540 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 :: 116.6590 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.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 59.3000 CB :: 37.8000 CG1 :: 27.5000 CG2 :: 18.4200 CD1 :: 14.1000 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 :: 7.6300 HA :: 4.3520 HB :: 2.0820 HG12 :: 1.9190 HG13 :: 0.7490 HG21 :: 0.9490 HG22 :: 0.9490 HG23 :: 0.9490 HD11 :: 0.8410 HD12 :: 0.8410 HD13 :: 0.8410 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 :: 121.0780 Ave N Shift Values>> N :: 121.46(4.28) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.5000 CA :: 64.1000 CB :: 32.4000 CG :: 27.4000 CD :: 50.9000 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 :: 4.2560 HB2 :: 2.2160 HB3 :: 1.9610 HG2 :: 2.1060 HG3 :: 1.9200 HD2 :: 4.0410 HD3 :: 3.6940 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.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 Y 0.15 F 0.11 E 0.09 D 0.08 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 177.5000 CA :: 54.4000 CB :: 37.7000 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 :: 8.4640 HA :: 4.3980 HB2 :: 2.9760 HB3 :: 2.9160 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 :: 110.3350 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 A 0.04 C Shift Assignments>> CA :: 58.1000 CB :: 38.6000 CG1 :: 26.8000 CG2 :: 18.3000 CD1 :: 14.0000 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 :: 7.3250 HA :: 4.4160 HB :: 1.7810 HG12 :: 1.4080 HG13 :: 1.2210 HG21 :: 0.9080 HG22 :: 0.9080 HG23 :: 0.9080 HD11 :: 0.7740 HD12 :: 0.7740 HD13 :: 0.7740 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.6080 Ave N Shift Values>> N :: 121.46(4.28) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 61.7000 CB :: 31.0000 CG :: 27.3000 CD :: 51.2000 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 :: 4.7490 HB2 :: 2.4540 HB3 :: 1.9980 HG2 :: 2.0570 HG3 :: 2.0200 HD2 :: 4.0090 HD3 :: 3.3680 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.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.6000 CA :: 63.7000 CB :: 32.0000 CG :: 27.3000 CD :: 50.5000 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 :: 4.3910 HB2 :: 2.2960 HB3 :: 1.9000 HG2 :: 2.0180 HG3 :: 1.9530 HD2 :: 3.7520 HD3 :: 3.6440 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.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 Y 0.1 E 0.1 F 0.07 M 0.06 D 0.05 L 0.01 K 0.01 C Shift Assignments>> C :: 176.5000 CA :: 53.7000 CB :: 37.3000 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 :: 8.2560 HA :: 4.4560 HB2 :: 2.9780 HB3 :: 2.7660 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 :: 112.8270 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 177.2000 CA :: 59.1000 CB :: 37.0000 CG1 :: 26.7000 CG2 :: 17.9000 CD1 :: 11.7000 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 :: 7.1660 HA :: 4.1440 HB :: 1.9180 HG12 :: 1.4020 HG13 :: 1.2030 HG21 :: 0.7060 HG22 :: 0.7060 HG23 :: 0.7060 HD11 :: 0.6890 HD12 :: 0.6890 HD13 :: 0.6890 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 :: 119.1330 Ave N Shift Values>> N :: 121.46(4.28) 1.N37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.28 L 0.16 F 0.08 Y 0.07 K 0.02 C Shift Assignments>> C :: 175.6000 CA :: 53.4000 CB :: 40.4000 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 :: 8.7640 HA :: 4.6670 HB2 :: 2.9520 HB3 :: 2.6450 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 :: 121.0680 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 A 0.09 C Shift Assignments>> C :: 178.0000 CA :: 58.8000 CB :: 73.5000 CG2 :: 21.4000 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 :: 7.5270 HA :: 4.9240 HB :: 4.8020 HG21 :: 1.0700 HG22 :: 1.0700 HG23 :: 1.0700 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 :: 106.7950 Ave N Shift Values>> N :: 115.42(4.75) 1.W39 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 182.3000(A) CA :: 60.1000 CB :: 29.4000 CD1 :: 129.0000 CE3 :: 120.4210 CZ2 :: 113.3000 CZ3 :: 120.5000 CH2 :: 124.0160 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 :: 10.3630 HA :: 4.5330 HB2 :: 3.3850 HB3 :: 3.3430 HD1 :: 7.9400 HE3 :: 7.3980 HZ2 :: 7.2460 HZ3 :: 6.7350 HH2 :: 7.2100 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 :: 123.7440 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.34 R 0.12 E 0.04 I 0.03 M 0.03 P 0.01 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 180.9000 CA :: 59.5000 CB :: 28.5000 CG :: 33.4000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.5500 HA :: 4.2680 HB2 :: 2.2060 HB3 :: 2.0950 HG2 :: 2.4420 HG3 :: 2.4420 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.2070 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 Q 0.3 M 0.17 K 0.17 I 0.02 C Shift Assignments>> C :: 181.5000 CA :: 58.5000 CB :: 30.4000 CG :: 34.7000 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 :: 7.5940 HA :: 4.1910 HB2 :: 2.5730 HB3 :: 2.0600 HG2 :: 2.4140 HG3 :: 2.4140 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 :: 118.1630 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 180.0000 CA :: 67.5000 CB :: 32.0000 CG1 :: 21.3000 CG2 :: 22.3000 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 :: 8.1160 HA :: 3.4790 HB :: 2.4160 HG11 :: 1.0650 HG12 :: 1.0650 HG13 :: 1.0650 HG21 :: 0.6950 HG22 :: 0.6950 HG23 :: 0.6950 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 :: 121.1120 Ave N Shift Values>> N :: 121.14(4.54) 1.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 178.9000 CA :: 67.0000 CB :: 68.5000 CG2 :: 21.9000 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 :: 8.7260 HA :: 3.9040 HB :: 4.3390 HG21 :: 1.2110 HG22 :: 1.2110 HG23 :: 1.2110 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 :: 113.8700 Ave N Shift Values>> N :: 115.42(4.75) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.05 C Shift Assignments>> C :: 182.7000 CA :: 55.5000 CB :: 17.9000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5390 HA :: 4.2800 HB1 :: 1.5490 HB2 :: 1.5490 HB3 :: 1.5490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3690 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.11 C Shift Assignments>> C :: 182.2000 CA :: 58.1000 CB :: 41.8000 CG :: 26.6000 CD1 :: 26.6000 CD2 :: 23.3000 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 :: 7.7160 HA :: 4.0680 HB2 :: 2.2140 HB3 :: 1.3360 HG :: 1.9940 HD11 :: 0.9320 HD12 :: 0.9320 HD13 :: 0.9320 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 :: 117.8960 Ave N Shift Values>> N :: 121.86(3.9) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.35 I 0.04 C Shift Assignments>> C :: 184.3000 CA :: 55.4000 CB :: 18.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1170 HA :: 4.1840 HB1 :: 1.6170 HB2 :: 1.6170 HB3 :: 1.6170 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7460 Ave N Shift Values>> N :: 123.23(3.54) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 E 0.12 R 0.07 I 0.05 M 0.01 HN Overlap>> 1.Q40 1.Q40 C Shift Assignments>> C :: 180.1000 CA :: 58.9000 CB :: 28.5000 CG :: 34.1000 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 :: 8.5150 HA :: 4.0880 HB2 :: 2.3230 HB3 :: 2.2420 HG2 :: 2.5890 HG3 :: 2.4520 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.2470 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 E 0.23 K 0.22 M 0.15 C Shift Assignments>> C :: 176.7000 CA :: 55.9000 CB :: 30.0000 CG :: 34.6000 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 :: 7.5340 HA :: 4.2900 HB2 :: 2.4020 HB3 :: 2.0120 HG2 :: 2.5920 HG3 :: 2.4330 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 :: 116.1670 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.26 L 0.08 C Shift Assignments>> C :: 178.7000 CA :: 57.5000 CB :: 28.3000 CG :: 25.1000 CD :: 28.9000 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 :: 7.9570 HA :: 4.1180 HB2 :: 2.1780 HB3 :: 2.1570 HG2 :: 1.4030 HG3 :: 1.3860 HD2 :: 1.7580 HD3 :: 1.6870 HE2 :: 3.0300 HE3 :: 3.0300 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 :: 113.3540 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.12 A 0.06 HN Overlap>> 2.S22 2.S22 C Shift Assignments>> C :: 180.0000 CA :: 55.3000 CB :: 42.5000 CG :: 27.0000 CD1 :: 25.6000 CD2 :: 22.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0160 HA :: 4.4230 HB2 :: 1.6730 HB3 :: 1.6160 HG :: 1.5780 HD11 :: 0.9390 HD12 :: 0.9390 HD13 :: 0.9390 HD21 :: 0.8810 HD22 :: 0.8810 HD23 :: 0.8810 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 :: 116.9440 Ave N Shift Values>> N :: 121.86(3.9) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.13 A 0.08 C Shift Assignments>> C :: 179.0000 CA :: 53.4000 CB :: 44.5000 CG :: 27.2000 CD1 :: 26.8000 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 :: 7.1090 HA :: 4.9220 HB2 :: 1.5060 HB3 :: 1.4460 HG :: 1.4760 HD11 :: 0.9080 HD12 :: 0.9080 HD13 :: 0.9080 HD21 :: 0.8880 HD22 :: 0.8880 HD23 :: 0.8880 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 :: 117.7930 Ave N Shift Values>> N :: 121.86(3.9) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.7000 CB :: 69.0000 CG2 :: 21.7000 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 :: 9.4600 HA :: 4.6230 HB :: 4.7500 HG21 :: 1.3880 HG22 :: 1.3880 HG23 :: 1.3880 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 :: 115.6950 Ave N Shift Values>> N :: 115.42(4.75) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 181.7000 CA :: 66.0000 CB :: 31.6000 CG :: 28.4000 CD :: 50.5000 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 :: 4.2750 HB2 :: 2.4240 HB3 :: 2.9040 HG2 :: 2.2160 HG3 :: 2.0120 HD2 :: 3.9400 HD3 :: 3.9000 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.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 E 0.18 I 0.17 R 0.06 C Shift Assignments>> C :: 181.5000 CA :: 59.8000 CB :: 28.1000 CG :: 34.6000 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 :: 8.2290 HA :: 4.1190 HB2 :: 2.1090 HB3 :: 2.0020 HG2 :: 2.5300 HG3 :: 2.4480 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 :: 116.8370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.21 Y 0.16 L 0.16 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 181.1000 CA :: 57.9000 CB :: 41.7000 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 :: 7.9570 HA :: 4.3530 HB2 :: 3.0670 HB3 :: 2.6250 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 :: 123.6210 Ave N Shift Values>> N :: 120.65(3.86) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 181.0000 CA :: 57.1000 CB :: 31.2000 CG :: 32.5000 CE :: 16.5000 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 :: 8.3140 HA :: 4.3800 HB2 :: 2.2120 HB3 :: 2.0530 HG2 :: 2.5520 HG3 :: 2.3250 HE1 :: 1.7810 HE2 :: 1.7810 HE3 :: 1.7810 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 :: 117.2630 Ave N Shift Values>> N :: 120.09(3.57) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.26 K 0.12 Q 0.06 M 0.02 C Shift Assignments>> C :: 181.7000 CA :: 59.5000 CB :: 29.3000 CG :: 36.1000 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 :: 8.0390 HA :: 4.0850 HB2 :: 2.2030 HB3 :: 2.2030 HG2 :: 2.4080 HG3 :: 2.4080 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 :: 120.5700 Ave N Shift Values>> N :: 120.67(3.48) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.47 I 0.03 C Shift Assignments>> C :: 182.8000 CA :: 55.1000 CB :: 18.5000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5710 HA :: 4.3610 HB1 :: 1.6920 HB2 :: 1.6920 HB3 :: 1.6920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9150 Ave N Shift Values>> N :: 123.23(3.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.3 I 0.06 C Shift Assignments>> C :: 180.8000 CA :: 55.7000 CB :: 18.1000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7280 HA :: 4.1370 HB1 :: 1.7390 HB2 :: 1.7390 HB3 :: 1.7390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.7490 Ave N Shift Values>> N :: 123.23(3.54) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.27 C Shift Assignments>> C :: 181.3000 CA :: 60.2000 CB :: 32.6000 CG :: 25.8000 CD :: 29.8000 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2920 HA :: 3.7000 HB2 :: 1.9230 HB3 :: 1.9230 HG2 :: 1.5680 HG3 :: 1.3030 HD2 :: 1.6350 HD3 :: 1.6350 HE2 :: 2.8040 HE3 :: 2.8550 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.4150 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.19 K 0.15 Q 0.09 M 0.02 C Shift Assignments>> C :: 181.5000 CA :: 59.2000 CB :: 29.4000 CG :: 35.9000 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 :: 7.4010 HA :: 4.1710 HB2 :: 2.2570 HB3 :: 2.2350 HG2 :: 2.4450 HG3 :: 2.3650 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 :: 118.4990 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V13 1.V13 C Shift Assignments>> C :: 179.4000 CA :: 66.8000 CB :: 31.9000 CG1 :: 23.0000 CG2 :: 23.9000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0360 HA :: 3.7460 HB :: 2.5070 HG11 :: 1.1970 HG12 :: 1.1970 HG13 :: 1.1970 HG21 :: 1.1630 HG22 :: 1.1630 HG23 :: 1.1630 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 :: 119.6850 Ave N Shift Values>> N :: 121.14(4.54) 1.Y63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.3000 CA :: 62.2000 CB :: 38.0000 CD1 :: 133.0000 CD2 :: 132.9000 CE1 :: 117.5000 CE2 :: 117.6000 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 :: 8.8020 HA :: 3.7250 HB2 :: 2.7070 HB3 :: 1.8100 HD1 :: 5.6250(S) HD2 :: 5.6200(S) HE1 :: 6.2440 HE2 :: 6.2440 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.7940 Ave N Shift Values>> N :: 120.52(4.2) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.18 C Shift Assignments>> C :: 181.7000 CA :: 59.8000 CB :: 32.2000 CG :: 25.3000 CD :: 29.5000 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 :: 7.4520 HA :: 3.8640 HB2 :: 1.9090 HB3 :: 1.8040 HG2 :: 1.6850 HG3 :: 1.4040 HD2 :: 1.6940 HD3 :: 1.6940 HE2 :: 2.9200 HE3 :: 2.9200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.7720 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 180.7000 CA :: 65.0000 CB :: 38.2000 CG1 :: 28.6000 CG2 :: 18.2000 CD1 :: 13.4000 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 :: 7.6730 HA :: 3.7570 HB :: 2.0310 HG12 :: 1.8620 HG13 :: 1.1620 HG21 :: 0.9870 HG22 :: 0.9870 HG23 :: 0.9870 HD11 :: 0.8870 HD12 :: 0.8870 HD13 :: 0.8870 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 :: 119.9850 Ave N Shift Values>> N :: 121.46(4.28) 1.H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 H 0.43 C Shift Assignments>> C :: 179.4000 CA :: 57.5000 CB :: 32.8000 CD2 :: 115.4900 CE1 :: 138.4000 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 :: 8.9430 HA :: 4.3430 HB2 :: 3.5020 HB3 :: 3.2680 HD2 :: 7.0190 HE1 :: 7.7720 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 :: 121.5060 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 K 0.24 Q 0.24 I 0.12 M 0.04 C Shift Assignments>> C :: 180.2000 CA :: 59.8000 CB :: 29.5000 CG :: 34.9000 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 :: 8.5260 HA :: 3.7200 HB2 :: 1.8680 HB3 :: 1.7080 HG2 :: 1.9690 HG3 :: 1.8800 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 :: 117.4210 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.36 E 0.1 R 0.08 I 0.05 M 0.01 C Shift Assignments>> C :: 181.1000 CA :: 59.2000 CB :: 28.4000 CG :: 34.0000 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 :: 7.6730 HA :: 4.0170 HB2 :: 2.1790 HB3 :: 2.1270 HG2 :: 2.5660 HG3 :: 2.5110 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 :: 117.3850 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.08 HN Overlap>> 1.Q79 1.Q79 1.L70 1.L70 C Shift Assignments>> C :: 182.7000 CA :: 58.2000 CB :: 42.0000 CG :: 26.6000 CD1 :: 25.9000 CD2 :: 23.3000 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 :: 8.2270 HA :: 4.1260 HB2 :: 2.1690 HB3 :: 1.7150 HG :: 1.9920 HD11 :: 0.9650 HD12 :: 0.9650 HD13 :: 0.9650 HD21 :: 0.9290 HD22 :: 0.9290 HD23 :: 0.9290 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 :: 120.6080 Ave N Shift Values>> N :: 121.86(3.9) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 HN Overlap>> 1.Q79 1.L69 1.Q79 1.L69 C Shift Assignments>> C :: 181.9000 CA :: 57.7000 CB :: 41.9000 CG :: 27.1000 CD1 :: 25.1000 CD2 :: 23.2000 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 :: 8.2730 HA :: 4.1080 HB2 :: 1.6220 HB3 :: 1.3010 HG :: 1.5800 HD11 :: 0.5760 HD12 :: 0.5760 HD13 :: 0.5760 HD21 :: 0.7760 HD22 :: 0.7760 HD23 :: 0.7760 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 :: 120.6070 Ave N Shift Values>> N :: 121.86(3.9) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 180.1000 CA :: 60.2000 CB :: 39.0000 CD1 :: 131.3000 CD2 :: 131.3000 CE1 :: 131.3000 CE2 :: 131.3000 CZ :: 129.7000 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 :: 8.4690 HA :: 4.3150 HB2 :: 3.1610 HB3 :: 3.2030 HD1 :: 7.1770 HD2 :: 7.1780 HE1 :: 7.2270 HE2 :: 7.2210 HZ :: 7.1690 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 :: 119.9750 Ave N Shift Values>> N :: 120.45(4.18) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.23 C Shift Assignments>> C :: 180.4000 CA :: 58.8000 CB :: 32.3000 CG :: 25.4000 CD :: 29.4000 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 :: 8.1430 HA :: 4.0120 HB2 :: 1.9820 HB3 :: 1.9370 HG2 :: 1.6380 HG3 :: 1.5020 HD2 :: 1.7180 HD3 :: 1.7180 HE2 :: 3.0020 HE3 :: 3.0020 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.1480 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.34 I 0.01 C Shift Assignments>> C :: 181.6000 CA :: 54.2000 CB :: 18.5000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8860 HA :: 4.2240 HB1 :: 1.5030 HB2 :: 1.5030 HB3 :: 1.5030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4830 Ave N Shift Values>> N :: 123.23(3.54) 1.R74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.89 K 0.09 L 0.01 C Shift Assignments>> C :: 179.9000 CA :: 57.6000 CB :: 30.1000 CG :: 27.2000 CD :: 43.2000 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 :: 7.8490 HA :: 4.1890 HB2 :: 1.8770 HB3 :: 1.8390 HG2 :: 1.6620 HG3 :: 1.6620 HD2 :: 3.1410 HD3 :: 3.1000 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 :: 118.0730 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.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.04 A 0.01 C Shift Assignments>> C :: 180.6000 CA :: 56.4000 CB :: 42.0000 CG :: 26.7000 CD1 :: 25.1000 CD2 :: 23.5000 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 :: 7.8470 HA :: 4.1810 HB2 :: 1.6500 HB3 :: 1.5510 HG :: 1.5450 HD11 :: 0.8160 HD12 :: 0.8160 HD13 :: 0.8160 HD21 :: 0.7860 HD22 :: 0.7860 HD23 :: 0.7860 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 :: 120.5750 Ave N Shift Values>> N :: 121.86(3.9) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.12 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 179.1000 CA :: 56.9000 CB :: 29.0000 CG :: 34.0000 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 :: 8.0080 HA :: 4.2200 HB2 :: 2.1220 HB3 :: 2.0690 HG2 :: 2.4080 HG3 :: 2.4080 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 :: 118.8900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.37 E 0.11 M 0.05 R 0.05 HN Overlap>> 1.V13 1.V13 C Shift Assignments>> C :: 178.7000 CA :: 56.7000 CB :: 29.1000 CG :: 33.9000 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 :: 8.0780 HA :: 4.2630 HB2 :: 2.1520 HB3 :: 2.0580 HG2 :: 2.4090 HG3 :: 2.4090 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 :: 119.8360 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.36 E 0.11 M 0.07 R 0.04 HN Overlap>> 2.E14 2.E14 C Shift Assignments>> C :: 178.4000 CA :: 56.4000 CB :: 29.3000 CG :: 33.9000 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 :: 8.2260 HA :: 4.2880 HB2 :: 2.1410 HB3 :: 2.0380 HG2 :: 2.4040 HG3 :: 2.4040 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.3410 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.41 K 0.35 M 0.09 E 0.09 R 0.03 HN Overlap>> 1.L69 1.L70 1.L69 1.L70 C Shift Assignments>> C :: 177.8000 CA :: 55.9000 CB :: 29.5000 CG :: 33.8000 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 :: 8.2530 HA :: 4.3160 HB2 :: 2.1390 HB3 :: 2.0060 HG2 :: 2.3960 HG3 :: 2.3960 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.7080 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C Shift Assignments>> C :: 179.0000 CA :: 52.8000 CB :: 19.3000 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2370 HA :: 4.3360 HB1 :: 1.4110 HB2 :: 1.4110 HB3 :: 1.4110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.6980 Ave N Shift Values>> N :: 123.23(3.54) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 W 0.17 E 0.16 H 0.16 Q 0.12 M 0.08 K 0.08 V 0.01 I 0.01 C Shift Assignments>> CA :: 57.4000 CB :: 30.6000 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 :: 7.9260 HA :: 4.1440 HB2 :: 2.1170 HB3 :: 1.9210 HG2 :: 2.3230 HG3 :: 2.3230 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.7330 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.2000 CA :: 62.1000 CB :: 69.7000 CG2 :: 21.7000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.4180 HB :: 4.2680 HG21 :: 1.2180 HG22 :: 1.2180 HG23 :: 1.2180 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 HN Overlap>> 2.D33 2.D33 C Shift Assignments>> C :: 176.1000 CA :: 54.5000 CB :: 41.3000 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 :: 8.4200 HA :: 4.6440 HB2 :: 2.6890 HB3 :: 2.6330 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.8750 Ave N Shift Values>> N :: 120.65(3.86) 2.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3000 CA :: 58.3000 CB :: 63.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2540 HA :: 4.4790 HB2 :: 3.8610 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 :: 116.2580 Ave N Shift Values>> N :: 116.28(3.52) 2.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.3000 CB :: 69.7000 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 :: 8.2110 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 :: 118.9230 Ave N Shift Values>> N :: 115.42(4.75) 2.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.5000 CA :: 63.2000 CB :: 32.1000 CG :: 27.5000 CD :: 51.1000 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 :: 4.3470 HB2 :: 2.1880 HB3 :: 1.9400 HG2 :: 1.7380 HG3 :: 1.5210 HD2 :: 3.8270 HD3 :: 3.6380 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 Q 0.28 K 0.03 E 0.02 HN Overlap>> 2.E19 2.E19 C Shift Assignments>> C :: 175.7000 CA :: 55.7000 CB :: 33.1000 CG :: 31.9000 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 :: 8.3030 HA :: 4.2790 HB2 :: 1.8210 HB3 :: 1.8210 HG2 :: 2.3710 HG3 :: 2.3410 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 :: 120.4690 Ave N Shift Values>> N :: 120.09(3.57) 2.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.33 Y 0.33 D 0.1 I 0.09 L 0.08 N 0.03 C Shift Assignments>> C :: 175.1000 CA :: 57.5000 CB :: 39.7000 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 :: 7.9930 HA :: 4.4860 HB2 :: 2.8680 HB3 :: 2.8100 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 :: 119.9560 Ave N Shift Values>> N :: 120.45(4.18) 2.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 R 0.17 E 0.15 W 0.15 Q 0.14 M 0.09 K 0.07 C Shift Assignments>> C :: 175.8000 CA :: 56.3000 CB :: 30.5000 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 :: 8.1760 HA :: 4.2160 HB2 :: 1.9300 HB3 :: 1.7750 HG2 :: 2.0960 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 :: 121.8570 Ave N Shift Values>> N :: 120.67(3.48) 2.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 Y 0.15 M 0.1 I 0.09 F 0.08 K 0.06 Q 0.03 V 0.02 C Shift Assignments>> C :: 175.8000 CA :: 58.2000 CB :: 36.2000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0420 HA :: 4.4480 HB2 :: 2.9650 HB3 :: 2.8650 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 :: 120.4260 Ave N Shift Values>> N :: 120.52(4.2) 2.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 M 0.18 K 0.05 Q 0.05 I 0.04 C Shift Assignments>> C :: 175.8000 CA :: 56.8000 CB :: 30.6000 CG :: 36.5000 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 :: 8.3350 HA :: 4.1880 HB2 :: 1.9890 HB3 :: 1.8660 HG2 :: 2.1810 HG3 :: 2.1810 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 :: 121.6450 Ave N Shift Values>> N :: 120.67(3.48) 2.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.21 F 0.08 Y 0.08 L 0.06 C Shift Assignments>> C :: 175.1000 CA :: 53.2000 CB :: 39.0000 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 :: 8.3450 HA :: 4.6730 HB2 :: 2.8360 HB3 :: 2.6620 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 :: 119.1450 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 A 0.01 C Shift Assignments>> C :: 177.3000 CA :: 55.7000 CB :: 42.1000 CG :: 27.3000 CD1 :: 25.1000 CD2 :: 23.5000 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 :: 8.1970 HA :: 4.1960 HD11 :: 0.7840 HD12 :: 0.7840 HD13 :: 0.7840 HD21 :: 0.7840 HD22 :: 0.7840 HD23 :: 0.7840 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 :: 122.9220 Ave N Shift Values>> N :: 121.86(3.9) 2.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.13 K 0.09 Q 0.08 I 0.05 HN Overlap>> 1.Q78 2.V30 2.N16 1.Q78 2.V30 2.N16 2.D27 2.D27 C Shift Assignments>> C :: 176.4000 CA :: 56.9000 CB :: 30.2000 CG :: 36.3000 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 :: 8.2880 HA :: 4.1810 HB2 :: 2.0240 HB3 :: 1.9120 HG2 :: 2.2170 HG3 :: 2.2170 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 :: 120.2810 Ave N Shift Values>> N :: 120.67(3.48) 2.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.24 K 0.12 F 0.1 N 0.09 Y 0.08 R 0.01 C Shift Assignments>> C :: 176.4000 CA :: 54.5000 CB :: 41.2000 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 :: 8.1940 HA :: 4.5490 HB2 :: 2.6950 HB3 :: 2.6460 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 :: 120.9800 Ave N Shift Values>> N :: 120.65(3.86) 2.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.19 Y 0.09 F 0.09 L 0.05 HN Overlap>> 2.E14 2.D27 2.E14 2.D27 C Shift Assignments>> C :: 175.8000 CA :: 53.5000 CB :: 38.8000 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 :: 8.3950 HA :: 4.7340 HB2 :: 2.7960 HB3 :: 2.7650 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 :: 120.2960 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.2000 CA :: 59.6000 CB :: 63.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3180 HA :: 4.2150 HB2 :: 3.8770 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 :: 115.8160 Ave N Shift Values>> N :: 116.28(3.52) 2.K18 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.99 C Shift Assignments>> C :: 176.9000 CA :: 56.9000 CB :: 32.5000 CG :: 29.1000(S) CD :: 24.7000(S) 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 :: 8.1410 HA :: 4.2580 HB2 :: 1.7400 HB3 :: 1.7400 HG2 :: 1.3760 HG3 :: 1.3760 HD2 :: 1.5790 HD3 :: 1.5790 HE2 :: 2.9140 HE3 :: 2.9140 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 :: 122.2220 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.12 M 0.09 Q 0.08 I 0.06 HN Overlap>> 2.M7 2.M7 C Shift Assignments>> C :: 177.1000 CA :: 57.0000 CB :: 29.9000 CG :: 36.3000 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 :: 8.2510 HA :: 4.2230 HB2 :: 1.9750 HB3 :: 1.9130 HG2 :: 2.1950 HG3 :: 2.1950 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 :: 120.4520 Ave N Shift Values>> N :: 120.67(3.48) 2.W20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 E 0.16 K 0.15 Q 0.14 H 0.13 R 0.11 I 0.05 M 0.03 V 0.01 C Shift Assignments>> C :: 176.5000 CA :: 58.2000 CB :: 29.3000 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 :: 8.1280 HA :: 4.5010 HB2 :: 3.3130 HB3 :: 3.2290 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 :: 121.6100 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.1000 CA :: 63.1000 CB :: 69.2000 CG2 :: 21.5000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.6210 HA :: 3.9200 HB :: 4.0970 HG21 :: 0.8610 HG22 :: 0.8610 HG23 :: 0.8610 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 :: 112.5620 Ave N Shift Values>> N :: 115.42(4.75) 2.S22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 174.9000 CA :: 59.0000 CB :: 63.8000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9690 HA :: 4.2970 HB2 :: 3.8180 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 :: 117.0190 Ave N Shift Values>> N :: 116.28(3.52) 2.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 C Shift Assignments>> C :: 176.6000 CA :: 56.3000 CB :: 41.9000 CG :: 26.2000 CD1 :: 24.9000 CD2 :: 24.3000 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 :: 7.6110 HA :: 3.7910 HG :: 1.0090 HD11 :: 0.5510 HD12 :: 0.5510 HD13 :: 0.5510 HD21 :: 0.7880 HD22 :: 0.7880 HD23 :: 0.7880 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 :: 122.6880 Ave N Shift Values>> N :: 121.86(3.9) 2.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.32 D 0.1 I 0.08 L 0.07 N 0.05 C Shift Assignments>> C :: 175.2000 CA :: 57.2000 CB :: 39.3000 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 :: 7.4830 HA :: 4.4570 HB2 :: 2.9570 HB3 :: 2.4790 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 :: 115.1800 Ave N Shift Values>> N :: 120.45(4.18) 2.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.24 K 0.13 F 0.1 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.9000 CA :: 54.5000 CB :: 41.3000 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 :: 7.8280 HA :: 4.5240 HB2 :: 2.6690 HB3 :: 2.5640 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 :: 119.9060 Ave N Shift Values>> N :: 120.65(3.86) 2.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.26 F 0.09 L 0.08 Y 0.08 C Shift Assignments>> C :: 176.7000 CA :: 53.5000 CB :: 39.4000 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 :: 8.2580 HA :: 4.6650 HB2 :: 2.7810 HB3 :: 2.7170 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.6300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 F 0.1 N 0.1 Y 0.07 R 0.01 HN Overlap>> 2.N16 2.E14 2.N16 2.E14 C Shift Assignments>> C :: 175.6000 CA :: 54.4000 CB :: 41.2000 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 :: 8.3400 HA :: 4.5730 HB2 :: 2.6530 HB3 :: 2.5600 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 :: 120.2940 Ave N Shift Values>> N :: 120.65(3.86) 2.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.3 I 0.21 E 0.04 D 0.02 L 0.01 N 0.01 M 0.01 C Shift Assignments>> CA :: 58.6000 CB :: 38.5000 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 :: 7.9490 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.2850 Ave N Shift Values>> N :: 121.46(4.28) 2.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.5000 CA :: 63.1000 CB :: 32.1000 CG :: 27.3000 CD :: 51.0000 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 :: 4.4140 HB2 :: 2.2060 HB3 :: 2.2060 HG2 :: 1.8000 HG3 :: 1.9360 HD2 :: 3.5930 HD3 :: 3.5390 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.E14 2.E14 C Shift Assignments>> C :: 176.4000 CA :: 62.3000 CB :: 32.9000 CG1 :: 20.7000 CG2 :: 21.3000 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 :: 8.2210 HA :: 4.1780 HB :: 2.0480 HG11 :: 0.9290 HG12 :: 0.9290 HG13 :: 0.9290 HG21 :: 0.9290 HG22 :: 0.9290 HG23 :: 0.9290 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 :: 120.2200 Ave N Shift Values>> N :: 121.14(4.54) 2.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.4000 CA :: 61.3000 CB :: 70.1000 CG2 :: 21.6000 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 :: 8.2210 HA :: 4.4920 HB :: 4.2360 HG21 :: 1.1710 HG22 :: 1.1710 HG23 :: 1.1710 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 :: 117.6810 Ave N Shift Values>> N :: 115.42(4.75) 2.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1000 CA :: 61.3000 CB :: 69.9000 CG2 :: 21.6000 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 :: 8.2060 HA :: 4.4240 HB :: 4.2860 HG21 :: 1.1750 HG22 :: 1.1750 HG23 :: 1.1750 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 :: 115.2620 Ave N Shift Values>> N :: 115.42(4.75) 2.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.14 F 0.09 N 0.08 Y 0.07 R 0.02 HN Overlap>> 2.D3 2.D3 C Shift Assignments>> C :: 175.0000 CA :: 54.4000 CB :: 41.4000 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 :: 8.3530 HA :: 4.6840 HB2 :: 2.7450 HB3 :: 2.5490 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.8590 Ave N Shift Values>> N :: 120.65(3.86) 2.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.16 R 0.13 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> CA :: 55.9000 CB :: 42.2000 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 :: 7.9190 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.9020 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 111 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 484 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 H Shift Results: #Consistent: 756 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 102 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I21 HD11 = -0.8890(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2904e-08 1.I21 HD12 = -0.8890(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2904e-08 1.I21 HD13 = -0.8890(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2904e-08 1.W39 C = 182.3000(A), Expected = 176.12, Std = 2.0100, ChiSquare = 2.1077e-03 1.Y63 HD1 = 5.6250(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.3614e-05 1.Y63 HD2 = 5.6200(S), Expected = 6.93, Std = 0.3000, ChiSquare = 1.2616e-05 2.K18 Typing: Suspicious 2.K18 CG = 29.1000(S), Expected = 24.89, Std = 1.1300, ChiSquare = 1.9480e-04 2.K18 CD = 24.7000(S), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9985e-05