Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.0100 CA :: 45.3876 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9170 HA3 :: 3.9170 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.08 C 0.02 C Shift Assignments>> C :: 177.8112 CA :: 52.6516 CB :: 19.4882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9827 HA :: 4.3571 HB1 :: 1.4030 HB2 :: 1.4030 HB3 :: 1.4030 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.4233 Ave N Shift Values>> N :: 123.23(3.54) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.36 A 0.12 C Shift Assignments>> C :: 176.5691 CA :: 55.5700 CB :: 32.9000 CG :: 32.2000 CE :: 16.9000 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 :: 8.5700 HA :: 4.4816 HB2 :: 2.1100 HB3 :: 2.0300 HG2 :: 2.6200 HG3 :: 2.5400 HE1 :: 2.0700 HE2 :: 2.0700 HE3 :: 2.0700 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.3900 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.6302 CA :: 45.2700 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3700 HA2 :: 3.9400 HA3 :: 3.8490 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.1300 Ave N Shift Values>> N :: 109.67(3.87) 1.M5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.34 C 0.19 C Shift Assignments>> CA :: 53.6300 CB :: 33.1400 CG :: 32.0600 CE :: 17.3920 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 :: 8.2100 HA :: 4.7800 HB2 :: 1.9770 HB3 :: 2.0728 HG2 :: 2.5200 HG3 :: 2.6600 HE1 :: 2.0408 HE2 :: 2.0408 HE3 :: 2.0408 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 :: 121.5700 Ave N Shift Values>> N :: 120.09(3.57) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 174.5200 CA :: 62.9800 CB :: 32.4000 CG :: 28.1500 CD :: 50.6000 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 :: 4.5050 HB2 :: 1.5410 HB3 :: 2.1934 HG2 :: 2.0100 HG3 :: 1.9700 HD2 :: 3.6830 HD3 :: 3.8873 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.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.34 R 0.09 C Shift Assignments>> C :: 175.9200 CA :: 54.9114 CB :: 33.6351 CG :: 25.0840 CD :: 28.8240 CE :: 42.0160 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 :: 9.6745 HA :: 5.0002 HB2 :: 1.7550 HB3 :: 1.7640 HG2 :: 1.3200 HG3 :: 1.3210 HD2 :: 1.5750 HD3 :: 1.5670 HE2 :: 2.9070 HE3 :: 2.9040 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.4427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 V 0.21 C Shift Assignments>> C :: 174.6300 CA :: 59.7259 CB :: 34.9909 CG1 :: 19.2798 CG2 :: 20.2700 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 :: 8.8506 HA :: 4.7235 HB :: 1.2416 HG11 :: -0.3003(S) HG12 :: -0.3003(S) HG13 :: -0.3003(S) HG21 :: 0.2407 HG22 :: 0.2407 HG23 :: 0.2407 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.8591 Ave N Shift Values>> N :: 121.14(4.54) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.2 C 0.15 A 0.02 R 0.02 C Shift Assignments>> C :: 174.0900 CA :: 53.0895 CB :: 45.0070 CG :: 27.8321 CD1 :: 23.7020 CD2 :: 26.0700 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 :: 7.8815 HA :: 5.1897 HB2 :: 1.6438 HB3 :: 1.2173 HG :: 1.2839 HD11 :: 0.7610 HD12 :: 0.7610 HD13 :: 0.7610 HD21 :: 0.6430 HD22 :: 0.6430 HD23 :: 0.6430 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 :: 127.1135 Ave N Shift Values>> N :: 121.86(3.9) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 172.9000 CA :: 61.2057 CB :: 34.5415 CG1 :: 21.7000 CG2 :: 22.1520 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 :: 8.9518 HA :: 4.6474 HB :: 1.8550 HG11 :: 0.9789 HG12 :: 0.9789 HG13 :: 0.9789 HG21 :: 0.7270 HG22 :: 0.7270 HG23 :: 0.7270 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 :: 128.0244 Ave N Shift Values>> N :: 121.14(4.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.14 C 0.12 A 0.08 C Shift Assignments>> C :: 174.4500 CA :: 52.3277 CB :: 45.0000 CG :: 28.3000 CD1 :: 23.3000 CD2 :: 22.7800 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 :: 8.4334 HA :: 5.5041 HB2 :: 0.8500 HB3 :: 2.1000 HG :: 0.8500 HD11 :: 0.5100 HD12 :: 0.5100 HD13 :: 0.5100 HD21 :: 0.4990 HD22 :: 0.4990 HD23 :: 0.4990 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 :: 128.9790 Ave N Shift Values>> N :: 121.86(3.9) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 E 0.23 M 0.14 I 0.01 C Shift Assignments>> C :: 173.1200 CA :: 56.9639 CB :: 32.2007 CG :: 37.6360 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 :: 8.5324 HA :: 4.2940 HB2 :: 2.4898 HB3 :: 1.4384 HG2 :: 2.0340 HG3 :: 2.3350 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 :: 128.1579 Ave N Shift Values>> N :: 120.67(3.48) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.18 F 0.14 Y 0.12 N 0.11 C 0.07 K 0.05 I 0.01 C Shift Assignments>> C :: 176.0900 CA :: 55.1400 CB :: 40.5244 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 :: 8.8032 HA :: 4.6590 HB2 :: 2.8060 HB3 :: 2.6900 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 :: 123.0769 Ave N Shift Values>> N :: 120.65(3.86) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.39 K 0.04 I 0.04 M 0.02 C Shift Assignments>> CA :: 54.5744 CB :: 29.3100 CG :: 37.3834 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 :: 10.0770 HA :: 4.8085 HB2 :: 2.0920 HB3 :: 2.0920 HG2 :: 2.3014 HG3 :: 2.2114 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 :: 126.6854 Ave N Shift Values>> N :: 120.67(3.48) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 179.1100 CA :: 65.4722 CB :: 32.4619 CG :: 27.3780 CD :: 51.6600 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 :: 4.2730 HB2 :: 1.9500 HB3 :: 2.3600 HG2 :: 2.0770 HG3 :: 2.0470 HD2 :: 3.9800 HD3 :: 4.2700 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.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.44 R 0.01 C Shift Assignments>> C :: 179.2600 CA :: 58.3061 CB :: 41.7312 CG :: 27.3072 CD1 :: 24.2020 CD2 :: 24.4000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8514 HA :: 4.1310 HB2 :: 1.7351 HB3 :: 1.5982 HG :: 1.6639 HD11 :: 0.9000 HD12 :: 0.9000 HD13 :: 0.9000 HD21 :: 0.9240 HD22 :: 0.9240 HD23 :: 0.9240 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 :: 118.3583 Ave N Shift Values>> N :: 121.86(3.9) 1.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 178.2300 CA :: 63.3445 CB :: 36.5636 CG1 :: 27.8350 CG2 :: 17.1810 CD1 :: 12.2690 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 :: 6.8860 HA :: 3.8320 HB :: 1.8550 HG12 :: 1.5360 HG13 :: 1.2170 HG21 :: 0.9650 HG22 :: 0.9650 HG23 :: 0.9650 HD11 :: 0.7870 HD12 :: 0.7870 HD13 :: 0.7870 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 :: 117.6801 Ave N Shift Values>> N :: 121.46(4.28) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.07 C 0.03 HN Overlap>> 1.A41 1.I77 1.A41 1.I77 C Shift Assignments>> C :: 178.9000 CA :: 55.8900 CB :: 18.1647 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9877 HA :: 3.7200 HB1 :: 1.3290 HB2 :: 1.3290 HB3 :: 1.3290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3209 Ave N Shift Values>> N :: 123.23(3.54) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.01 C Shift Assignments>> C :: 177.1800 CA :: 58.1436 CB :: 32.8517 CG :: 31.9000 CE :: 17.2000 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 :: 8.2035 HA :: 3.9990 HB2 :: 2.0728 HB3 :: 2.0021 HG2 :: 2.3500 HG3 :: 2.4250 HE1 :: 2.0350 HE2 :: 2.0350 HE3 :: 2.0350 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 :: 115.8067 Ave N Shift Values>> N :: 120.09(3.57) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.2 F 0.18 N 0.12 E 0.09 D 0.05 I 0.04 M 0.03 L 0.02 C Shift Assignments>> C :: 179.5900 CA :: 56.2218 CB :: 38.0054 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 :: 7.8391 HA :: 4.5450 HB2 :: 2.9840 HB3 :: 2.8950 HD21 :: 7.5309 HD22 :: 6.8374 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.8428 ND2 :: 110.9032 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.3 R 0.23 G 0.02 K 0.01 C Shift Assignments>> C :: 177.7500 CA :: 58.2678 CB :: 42.6049 CG :: 27.4300 CD1 :: 27.1220 CD2 :: 24.2480 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 :: 8.6011 HA :: 4.0550 HB2 :: 1.4308 HB3 :: 2.1569 HG :: 1.8300 HD11 :: 0.9690 HD12 :: 0.9690 HD13 :: 0.9690 HD21 :: 0.7870 HD22 :: 0.7870 HD23 :: 0.7870 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 :: 121.7487 Ave N Shift Values>> N :: 121.86(3.9) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.2 P 0.17 K 0.07 Q 0.04 C Shift Assignments>> C :: 178.0700 CA :: 60.4634 CB :: 26.9025 CG :: 32.1680 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 :: 8.7492 HA :: 3.9350 HB2 :: 1.9811 HB3 :: 2.2642 HG2 :: 2.0288 HG3 :: 2.0888 HE21 :: 6.4402 HE22 :: 7.7523 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 :: 120.9912 NE2 :: 109.5219 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> C :: 178.2100 CA :: 59.4252 CB :: 36.9752 CD1 :: 132.0686 CD2 :: 132.0686 CE1 :: 117.9664 CE2 :: 117.9664 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 :: 8.4496 HA :: 4.5170 HB2 :: 3.2940 HB3 :: 3.0730 HD1 :: 7.1650 HD2 :: 7.1650 HE1 :: 6.8088 HE2 :: 6.8088 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 :: 117.4461 Ave N Shift Values>> N :: 120.52(4.2) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 180.9100 CA :: 55.0598 CB :: 18.0698 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7647 HA :: 4.1000 HB1 :: 1.2800 HB2 :: 1.2800 HB3 :: 1.2800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6267 Ave N Shift Values>> N :: 123.23(3.54) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.79 C 0.2 C Shift Assignments>> C :: 179.0900 CA :: 63.4525 CB :: 39.4844 CD1 :: 131.7400 CD2 :: 131.7400 CE1 :: 130.8959 CE2 :: 130.8959 CZ :: 129.0433 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 :: 8.3485 HA :: 3.9400 HB2 :: 2.6540 HB3 :: 2.9700 HD1 :: 7.1200 HD2 :: 7.1200 HE1 :: 7.0366 HE2 :: 7.0366 HZ :: 6.8310 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 :: 115.5891 Ave N Shift Values>> N :: 120.45(4.18) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 I 0.37 E 0.2 K 0.01 C Shift Assignments>> C :: 181.6800 CA :: 59.7371 CB :: 28.9246 CG :: 37.4340 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 :: 8.8217 HA :: 4.4290 HB2 :: 2.2679 HB3 :: 2.0786 HG2 :: 2.4413 HG3 :: 2.7185 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 :: 121.1976 Ave N Shift Values>> N :: 120.67(3.48) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 L 0.15 D 0.14 C 0.1 K 0.08 I 0.03 N 0.02 C Shift Assignments>> C :: 177.8800 CA :: 56.9957 CB :: 40.6398 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 :: 8.4236 HA :: 4.4680 HB2 :: 2.6710 HB3 :: 2.8050 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.8460 Ave N Shift Values>> N :: 120.65(3.86) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.24 Q 0.22 M 0.15 K 0.12 C Shift Assignments>> C :: 176.4600 CA :: 55.3951 CB :: 30.2644 CG :: 35.0079 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 :: 7.1696 HA :: 4.3310 HB2 :: 1.7905 HB3 :: 2.3811 HG2 :: 2.3328 HG3 :: 1.9667 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.7590 Ave N Shift Values>> N :: 120.67(3.48) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.1600 CA :: 45.5888 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8893 HA2 :: 4.2450 HA3 :: 3.7630 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.8990 Ave N Shift Values>> N :: 109.67(3.87) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.16 C 0.08 C Shift Assignments>> C :: 175.8800 CA :: 50.6656 CB :: 21.8820 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7429 HA :: 4.6800 HB1 :: 1.2650 HB2 :: 1.2650 HB3 :: 1.2650 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0072 Ave N Shift Values>> N :: 123.23(3.54) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.27 M 0.26 C Shift Assignments>> C :: 175.4300 CA :: 55.1356 CB :: 32.1256 CG :: 36.8060 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 :: 8.5947 HA :: 4.6640 HB2 :: 1.9117 HB3 :: 1.9117 HG2 :: 2.2599 HG3 :: 2.0661 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 :: 120.0654 Ave N Shift Values>> N :: 120.67(3.48) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 175.2900 CA :: 60.8019 CB :: 34.9909 CG1 :: 22.3980 CG2 :: 23.3830 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 :: 8.8723 HA :: 4.7870 HB :: 1.8060 HG11 :: 0.6690 HG12 :: 0.6690 HG13 :: 0.6690 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.4137 Ave N Shift Values>> N :: 121.14(4.54) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.8300 CA :: 60.9900 CB :: 33.7363 CG1 :: 21.2000 CG2 :: 20.8200 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 :: 9.0421 HA :: 4.2260 HB :: 1.8440 HG11 :: 0.8010 HG12 :: 0.8010 HG13 :: 0.8010 HG21 :: 0.7740 HG22 :: 0.7740 HG23 :: 0.7740 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 :: 128.1584 Ave N Shift Values>> N :: 121.14(4.54) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 175.1000 CA :: 61.3889 CB :: 33.1934 CG1 :: 21.8900 CG2 :: 22.4800 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5219 HA :: 4.7510 HB :: 1.8640 HG11 :: 0.8000 HG12 :: 0.8000 HG13 :: 0.8000 HG21 :: 0.6677 HG22 :: 0.6677 HG23 :: 0.6677 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 :: 126.2393 Ave N Shift Values>> N :: 121.14(4.54) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.41 L 0.37 C 0.17 K 0.02 C Shift Assignments>> C :: 174.3800 CA :: 50.1541 CB :: 22.9222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.3881 HA :: 4.6820 HB1 :: 1.2490 HB2 :: 1.2490 HB3 :: 1.2490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.9548 Ave N Shift Values>> N :: 123.23(3.54) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 L 0.15 C 0.06 C Shift Assignments>> C :: 176.4900 CA :: 51.7780 CB :: 21.5059 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5394 HA :: 4.6320 HB1 :: 1.4960 HB2 :: 1.4960 HB3 :: 1.4960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0109 Ave N Shift Values>> N :: 123.23(3.54) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 T 0.22 A 0.11 C Shift Assignments>> C :: 174.7100 CA :: 57.5205 CB :: 72.9722 CG2 :: 21.5330 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 :: 7.0187 HA :: 4.6200 HB :: 4.5730 HG1 :: 5.6300 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 :: 102.8800 Ave N Shift Values>> N :: 115.42(4.75) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.38 C 0.12 R 0.01 C Shift Assignments>> C :: 176.0200 CA :: 63.1793 CB :: 26.3174 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.3983 HA :: 3.6768 HB2 :: 2.5750 HB3 :: 2.8510 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 120.5531 Ave N Shift Values>> N :: 120.17(4.64) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.37 E 0.2 K 0.02 C Shift Assignments>> C :: 179.4700 CA :: 60.5940 CB :: 28.9632 CG :: 36.8047 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 :: 8.9603 HA :: 3.8290 HB2 :: 2.0308 HB3 :: 1.8746 HG2 :: 2.3194 HG3 :: 2.2307 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 :: 118.5208 Ave N Shift Values>> N :: 120.67(3.48) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.27 Q 0.26 R 0.05 E 0.05 M 0.03 I 0.01 HN Overlap>> 1.R113 1.R113 C Shift Assignments>> C :: 176.2110 CA :: 58.3065 CB :: 28.9246 CG :: 33.6030 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 :: 7.8552 HA :: 4.0210 HB2 :: 2.0874 HB3 :: 2.1720 HG2 :: 2.4790 HG3 :: 2.4790 HE21 :: 7.4723 HE22 :: 7.0312 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 :: 118.6019 NE2 :: 112.0140 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.21 C 0.08 L 0.05 V 0.02 I 0.01 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 178.4400 CA :: 55.1776 CB :: 19.8715 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0094 HA :: 3.7350 HB1 :: 1.4140 HB2 :: 1.4140 HB3 :: 1.4140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.3946 Ave N Shift Values>> N :: 123.23(3.54) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 C Shift Assignments>> C :: 180.0800 CA :: 58.0107 CB :: 40.9610 CG :: 27.0228 CD1 :: 25.5080 CD2 :: 22.8111 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 :: 8.4974 HA :: 3.8750 HB2 :: 1.7847 HB3 :: 1.3623 HG :: 1.7053 HD11 :: 0.7160 HD12 :: 0.7160 HD13 :: 0.7160 HD21 :: 0.6808 HD22 :: 0.6808 HD23 :: 0.6808 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 :: 116.8324 Ave N Shift Values>> N :: 121.86(3.9) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.39 R 0.14 G 0.01 C Shift Assignments>> C :: 178.5000 CA :: 59.2559 CB :: 32.2947 CG :: 25.3770 CD :: 29.1270 CE :: 42.4850 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 :: 7.5926 HA :: 4.0654 HB2 :: 1.8290 HB3 :: 1.9156 HG2 :: 1.4690 HG3 :: 1.3990 HD2 :: 1.6080 HD3 :: 1.6490 HE2 :: 3.2599 HE3 :: 3.1070 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 :: 121.0869 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4300 CA :: 62.9000 CB :: 62.9000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1000 HA :: 4.1300 HB2 :: 3.6900 HB3 :: 3.9000 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 :: 115.1500 Ave N Shift Values>> N :: 116.28(3.52) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.07 G 0.01 C Shift Assignments>> C :: 177.2600 CA :: 56.7700 CB :: 42.3890 CG :: 26.9000 CD1 :: 25.4000 CD2 :: 25.4000 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 :: 8.0500 HA :: 4.1212 HB2 :: 1.5944 HB3 :: 1.5032 HG :: 1.6800 HD11 :: 0.6800 HD12 :: 0.6800 HD13 :: 0.6800 HD21 :: 0.6800 HD22 :: 0.6800 HD23 :: 0.6800 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 :: 120.0500 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>> A 0.61 M 0.34 C 0.02 I 0.01 C Shift Assignments>> C :: 179.3100 CA :: 54.1263 CB :: 18.4115 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3602 HA :: 4.0935 HB1 :: 1.4525 HB2 :: 1.4525 HB3 :: 1.4525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.9396 Ave N Shift Values>> N :: 123.23(3.54) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.18 K 0.17 R 0.14 F 0.07 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 175.9300 CA :: 55.0868 CB :: 42.3638 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 :: 7.5835 HA :: 4.6100 HB2 :: 2.5413 HB3 :: 2.7180 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.2772 Ave N Shift Values>> N :: 120.65(3.86) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.25 N 0.09 R 0.08 G 0.06 C 0.06 K 0.05 F 0.03 Y 0.01 C Shift Assignments>> CA :: 51.0959 CB :: 42.3814 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 :: 7.7271 HA :: 5.2193 HB2 :: 2.2539 HB3 :: 2.5448 HD21 :: 7.2396 HD22 :: 7.9950 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 :: 116.9770 ND2 :: 115.6971 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 174.8900 CA :: 62.0925 CB :: 29.9400 CG :: 27.2800 CD :: 50.2674 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 :: 4.5506 HB2 :: 2.0400 HB3 :: 2.0400 HG2 :: 2.0700 HG3 :: 2.0700 HD2 :: 3.7620 HD3 :: 3.6400 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.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.32 A 0.02 C Shift Assignments>> C :: 174.8400 CA :: 58.5800 CB :: 38.8500 CG1 :: 26.6400 CG2 :: 19.0200 CD1 :: 10.4970 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 :: 7.4200 HA :: 3.9080 HB :: 1.8000 HG12 :: 1.5266 HG13 :: 1.0931 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 HD11 :: 0.4926 HD12 :: 0.4926 HD13 :: 0.4926 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 :: 122.2800 Ave N Shift Values>> N :: 121.46(4.28) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.27 L 0.27 R 0.23 C 0.07 F 0.06 Y 0.03 D 0.03 C Shift Assignments>> C :: 175.1136 CA :: 56.9300 CB :: 44.3600 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 :: 9.3100 HA :: 4.7494 HB2 :: 2.5758 HB3 :: 2.7768 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 :: 123.7700 Ave N Shift Values>> N :: 120.65(3.86) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 171.1290 CA :: 59.8500 CB :: 32.9800 CG1 :: 20.2860 CG2 :: 20.7210 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 :: 7.5801 HA :: 4.8740 HB :: 2.2621 HG11 :: 0.5256 HG12 :: 0.5256 HG13 :: 0.5256 HG21 :: 1.0800 HG22 :: 1.0800 HG23 :: 1.0800 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 :: 114.4537 Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.87 C 0.04 L 0.04 R 0.01 C Shift Assignments>> C :: 175.1000 CA :: 49.8100 CB :: 25.7500(S) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7800 HA :: 5.6654 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 :: 124.6200 Ave N Shift Values>> N :: 123.23(3.54) 1.V54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.0200 CA :: 61.5800 CB :: 34.3200 CG1 :: 21.7810 CG2 :: 21.7810 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 :: 8.7300 HA :: 4.6472 HB :: 1.9650 HG11 :: 0.8925 HG12 :: 0.8925 HG13 :: 0.8925 HG21 :: 1.2258 HG22 :: 1.2258 HG23 :: 1.2258 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 :: 118.9500 Ave N Shift Values>> N :: 121.14(4.54) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.2 R 0.08 G 0.03 A 0.01 C Shift Assignments>> C :: 176.1100 CA :: 53.5400 CB :: 42.6900 CG :: 27.5000 CD1 :: 24.1300 CD2 :: 25.3360 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 :: 9.2400 HA :: 4.9530 HB2 :: 1.4030 HB3 :: 2.0168 HG :: 1.4500 HD11 :: 0.5370 HD12 :: 0.5370 HD13 :: 0.5370 HD21 :: 0.2922 HD22 :: 0.2922 HD23 :: 0.2922 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 :: 124.8200 Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.18 G 0.12 C 0.04 F 0.03 K 0.03 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.4600 CA :: 52.9300 CB :: 43.4000 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 :: 8.3600 HA :: 5.6287 HB2 :: 3.4008 HB3 :: 2.4075 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.2200 Ave N Shift Values>> N :: 120.65(3.86) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 175.4800 CA :: 64.5645 CB :: 32.5200 CG1 :: 21.1620 CG2 :: 23.3920 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 :: 7.0217 HA :: 4.2387 HB :: 1.8478 HG11 :: 0.6510 HG12 :: 0.6510 HG13 :: 0.6510 HG21 :: 0.9380 HG22 :: 0.9380 HG23 :: 0.9380 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 :: 119.5807 Ave N Shift Values>> N :: 121.14(4.54) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.18 C 0.09 Y 0.08 F 0.08 L 0.05 C Shift Assignments>> C :: 173.4000 CA :: 53.5700 CB :: 38.8200 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 :: 8.6000 HA :: 4.6930 HB2 :: 2.9230 HB3 :: 3.2900 HD21 :: 7.9243 HD22 :: 7.0071 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 :: 114.4900 ND2 :: 113.8063 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.29 C 0.23 R 0.04 C Shift Assignments>> C :: 175.3400 CA :: 53.5500 CB :: 41.4300 CG :: 27.1000 CD1 :: 26.9100 CD2 :: 21.8000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2600 HA :: 4.6470 HB2 :: 1.6130 HB3 :: 1.2680 HG :: 1.3800 HD11 :: 0.6370 HD12 :: 0.6370 HD13 :: 0.6370 HD21 :: 0.5950 HD22 :: 0.5950 HD23 :: 0.5950 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 :: 130.6700 Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.6100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8600 HA2 :: 4.4347 HA3 :: 3.9500 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0300 Ave N Shift Values>> N :: 109.67(3.87) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.9600 CA :: 64.8879 CB :: 32.0701 CG :: 27.3960 CD :: 49.1800 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 :: 4.3850 HB2 :: 2.3800 HB3 :: 1.9600 HG2 :: 1.9900 HG3 :: 2.0500 HD2 :: 3.7100 HD3 :: 3.6300 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.35 R 0.12 G 0.01 C Shift Assignments>> C :: 175.8100 CA :: 55.4439 CB :: 33.2162 CG :: 24.8930 CD :: 29.0770 CE :: 42.4030 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 :: 8.6254 HA :: 4.5240 HB2 :: 2.0411 HB3 :: 1.6950 HG2 :: 1.4280 HG3 :: 1.3620 HD2 :: 1.6900 HD3 :: 1.6950 HE2 :: 2.9810 HE3 :: 2.9980 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.9842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.5600 CA :: 57.7146 CB :: 64.8661 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.3893 HA :: 4.6090 HB2 :: 3.8180 HB3 :: 3.5380 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.4322 Ave N Shift Values>> N :: 116.28(3.52) 1.H64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 H 0.37 Y 0.02 C Shift Assignments>> C :: 176.2100 CA :: 54.0060 CB :: 34.0921 CD2 :: 118.1900 CE1 :: 138.5685 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.7621 HA :: 5.8330 HB2 :: 2.8901 HB3 :: 2.7070 HD2 :: 6.9200 HE1 :: 7.8120 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 :: 122.5800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.17 C 0.16 H 0.14 R 0.14 Q 0.14 K 0.12 M 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 175.8805 CA :: 57.9800 CB :: 29.7900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9460 HA :: 4.3416 HB2 :: 3.1978 HB3 :: 3.5867 HG :: 1.1140 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 111.4785 Ave N Shift Values>> N :: 120.17(4.64) 1.G66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> P 0.67 A 0.14 N 0.06 G 0.03 C 0.02 D 0.01 C Shift Assignments>> CA :: 48.8800 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.2900(S) HA2 :: 3.7200 HA3 :: 4.3715 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.3400 Ave N Shift Values>> N :: 109.67(3.87) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 179.8600 CA :: 65.3883 CB :: 32.9700 CG :: 28.2116 CD :: 50.7277 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 :: 4.3861 HB2 :: 1.5500 HB3 :: 2.4700 HG2 :: 2.0500 HG3 :: 1.9900 HD2 :: 3.8700 HD3 :: 3.5100 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.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 176.3500 CA :: 64.8393 CB :: 31.3960 CG1 :: 22.0250 CG2 :: 24.1380 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 :: 7.4710 HA :: 3.4940 HB :: 1.9263 HG11 :: 0.5942 HG12 :: 0.5942 HG13 :: 0.5942 HG21 :: 0.9001 HG22 :: 0.9001 HG23 :: 0.9001 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 :: 116.5643 Ave N Shift Values>> N :: 121.14(4.54) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 179.2800 CA :: 55.2090 CB :: 18.1407 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8799 HA :: 3.0846 HB1 :: 1.2660 HB2 :: 1.2660 HB3 :: 1.2660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.8247 Ave N Shift Values>> N :: 123.23(3.54) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.07 I 0.05 N 0.01 C Shift Assignments>> C :: 178.3000 CA :: 57.5296 CB :: 40.5817 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 :: 8.3158 HA :: 4.3140 HB2 :: 2.5800 HB3 :: 2.5810 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.2688 Ave N Shift Values>> N :: 120.65(3.86) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.42 C 0.03 I 0.02 C Shift Assignments>> C :: 180.7000 CA :: 55.0615 CB :: 18.6753 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1561 HA :: 4.0453 HB1 :: 1.3570 HB2 :: 1.3570 HB3 :: 1.3570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7710 Ave N Shift Values>> N :: 123.23(3.54) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 L 0.09 R 0.01 K 0.01 C Shift Assignments>> C :: 179.5600 CA :: 58.3514 CB :: 40.4369 CG :: 26.2000 CD1 :: 28.7500 CD2 :: 24.9000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2498 HA :: 3.8238 HB2 :: 1.6000 HB3 :: 1.6754 HG :: 1.5700 HD11 :: 0.2100 HD12 :: 0.2100 HD13 :: 0.2100 HD21 :: 0.6100 HD22 :: 0.6100 HD23 :: 0.6100 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.0208 Ave N Shift Values>> N :: 121.86(3.9) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.39 R 0.14 G 0.01 C Shift Assignments>> C :: 181.3100 CA :: 59.3070 CB :: 32.4039 CG :: 25.3370 CD :: 29.3260 CE :: 42.4850 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 :: 8.3829 HA :: 4.4310 HB2 :: 2.1246 HB3 :: 2.0498 HG2 :: 1.6414 HG3 :: 1.8072 HD2 :: 1.8800 HD3 :: 1.8500 HE2 :: 3.1070 HE3 :: 3.1070 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 :: 120.0865 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.25 E 0.06 R 0.05 I 0.02 M 0.01 C Shift Assignments>> C :: 177.6200 CA :: 58.8337 CB :: 28.5051 CG :: 33.8900 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 :: 8.0148 HA :: 4.0740 HB2 :: 2.1826 HB3 :: 2.1803 HG2 :: 2.5370 HG3 :: 2.4720 HE21 :: 7.4391 HE22 :: 6.7952 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 :: 118.9818 NE2 :: 111.8900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.35 K 0.14 G 0.06 C Shift Assignments>> C :: 174.3100 CA :: 55.9500 CB :: 31.7800 CG :: 27.9585 CD :: 43.3930 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 :: 7.2400 HA :: 4.2720 HB2 :: 2.2511 HB3 :: 1.5269 HG2 :: 1.7060 HG3 :: 1.7779 HD2 :: 3.0450 HD3 :: 3.1138 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 :: 116.7700 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.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.47 C 0.01 C Shift Assignments>> C :: 176.2400 CA :: 53.1700 CB :: 16.6500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0651 HA :: 4.0500 HB1 :: 1.4870 HB2 :: 1.4870 HB3 :: 1.4870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.0200 Ave N Shift Values>> N :: 123.23(3.54) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.45 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> CA :: 58.6100 CB :: 40.0000 CG1 :: 27.8532 CG2 :: 16.4900 CD1 :: 15.2278 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 :: 8.0800 HA :: 4.5020 HB :: 1.5600 HG12 :: 1.0783 HG13 :: 1.6127 HG21 :: 0.8210 HG22 :: 0.8210 HG23 :: 0.8210 HD11 :: 0.8195 HD12 :: 0.8195 HD13 :: 0.8195 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 :: 122.3000 Ave N Shift Values>> N :: 121.46(4.28) 1.P78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 174.6800 CA :: 62.6217 CB :: 32.7715 CG :: 26.9380 CD :: 50.9900 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 :: 4.4540 HB2 :: 2.0840 HB3 :: 2.3783 HG2 :: 2.0734 HG3 :: 2.2293 HD2 :: 4.2270 HD3 :: 3.8880 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.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.25 G 0.02 C Shift Assignments>> C :: 172.7800 CA :: 55.6120 CB :: 42.1805 CD1 :: 132.9138 CD2 :: 132.9138 CE1 :: 130.4800 CE2 :: 130.4800 CZ :: 128.6030 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 :: 7.4625 HA :: 5.6561 HB2 :: 2.6480 HB3 :: 3.1531 HD1 :: 7.0400 HD2 :: 7.0400 HE1 :: 7.0430 HE2 :: 7.0430 HZ :: 7.0500 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 109.8004 Ave N Shift Values>> N :: 120.45(4.18) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.24 G 0.07 C Shift Assignments>> C :: 174.7500 CA :: 58.9140 CB :: 43.0792 CG1 :: 28.1180 CG2 :: 17.7210 CD1 :: 14.3970 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 :: 8.0244 HA :: 4.5450 HB :: 1.5800 HG12 :: 1.5158 HG13 :: 0.9118 HG21 :: 0.8100 HG22 :: 0.8100 HG23 :: 0.8100 HD11 :: 0.7720 HD12 :: 0.7720 HD13 :: 0.7720 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 :: 114.7465 Ave N Shift Values>> N :: 121.46(4.28) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.19 R 0.15 G 0.11 C Shift Assignments>> C :: 175.6200 CA :: 53.3450 CB :: 43.3039 CG :: 27.1883 CD1 :: 25.0840 CD2 :: 26.4370 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 :: 8.9346 HA :: 5.4697 HB2 :: 2.0013 HB3 :: 1.1500 HG :: 1.7310 HD11 :: 0.9210 HD12 :: 0.9210 HD13 :: 0.9210 HD21 :: 0.8980 HD22 :: 0.8980 HD23 :: 0.8980 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 :: 124.4498 Ave N Shift Values>> N :: 121.86(3.9) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 H 0.31 C Shift Assignments>> C :: 172.7300 CA :: 52.9470 CB :: 31.1714 CD2 :: 127.4300 CE1 :: 136.0888 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 :: 8.8284 HA :: 5.8797 HB2 :: 3.1040 HB3 :: 2.3701 HD2 :: 6.7419 HE1 :: 7.2138 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 :: 126.1666 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 A 0.18 T 0.11 S 0.01 C Shift Assignments>> C :: 172.8000 CA :: 58.8066 CB :: 69.3664 CG2 :: 18.0738 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 :: 7.2517 HA :: 5.3051 HB :: 4.0810 HG1 :: 6.5600 HG21 :: 0.9574 HG22 :: 0.9574 HG23 :: 0.9574 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 :: 114.0005 Ave N Shift Values>> N :: 115.42(4.75) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.7640 CA :: 45.2838 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4834 HA2 :: 4.7054 HA3 :: 3.8123 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.6658 Ave N Shift Values>> N :: 109.67(3.87) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.06 C 0.04 Y 0.04 R 0.03 C Shift Assignments>> C :: 175.8288 CA :: 53.4200 CB :: 41.5600 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 :: 8.5100 HA :: 4.9817 HB2 :: 2.8640 HB3 :: 2.4871 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 :: 123.4900 Ave N Shift Values>> N :: 120.65(3.86) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.41 R 0.08 C Shift Assignments>> C :: 178.2419 CA :: 57.4100 CB :: 42.0000 CG :: 27.9000 CD1 :: 25.2430 CD2 :: 24.2840 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 :: 8.2100 HA :: 3.9970 HB2 :: 1.6130 HB3 :: 1.6130 HG :: 1.6060 HD11 :: 0.8190 HD12 :: 0.8190 HD13 :: 0.8190 HD21 :: 0.9190 HD22 :: 0.9190 HD23 :: 0.9190 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 :: 122.0100 Ave N Shift Values>> N :: 121.86(3.9) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.19 K 0.19 F 0.14 Y 0.11 C 0.06 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 178.3508 CA :: 56.0100 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 :: 8.2900 HA :: 4.5350 HB2 :: 2.6600 HB3 :: 2.6662 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 :: 117.2600 Ave N Shift Values>> N :: 120.65(3.86) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 G 0.06 K 0.03 C Shift Assignments>> C :: 177.3000 CA :: 58.3400 CB :: 30.4600 CG :: 27.0000 CD :: 43.3690 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 :: 8.0400 HA :: 4.0150 HB2 :: 1.7454 HB3 :: 1.4639 HG2 :: 1.1500 HG3 :: 1.4000 HD2 :: 3.0700 HD3 :: 3.0700 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7500 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.H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.61 C 0.38 HN Overlap>> 1.K112 1.K112 C Shift Assignments>> C :: 175.6700 CA :: 55.3000 CB :: 29.8900 CD2 :: 120.9654 CE1 :: 137.6490 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.9000 HA :: 5.0261 HB2 :: 2.8030 HB3 :: 3.3530 HD2 :: 7.1606 HE1 :: 7.9320 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.5800 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.41 G 0.26 A 0.14 C 0.08 N 0.05 D 0.01 L 0.01 C Shift Assignments>> C :: 175.8800 CA :: 48.3100 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.7900 HA2 :: 3.7250 HA3 :: 4.0680 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.3200 Ave N Shift Values>> N :: 109.67(3.87) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.17 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.4100 CA :: 59.2000 CB :: 29.2400 CG :: 36.3320 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 :: 8.5800 HA :: 4.0430 HB2 :: 2.0015 HB3 :: 2.0015 HG2 :: 2.3030 HG3 :: 2.2220 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 :: 120.4900 Ave N Shift Values>> N :: 120.67(3.48) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.4 R 0.03 C Shift Assignments>> C :: 178.6300 CA :: 57.6900 CB :: 41.8200 CG :: 26.7700 CD1 :: 23.5840 CD2 :: 25.2840 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 :: 7.6900 HA :: 4.0482 HB2 :: 1.7251 HB3 :: 1.4667 HG :: 1.3400 HD11 :: 0.6470 HD12 :: 0.6470 HD13 :: 0.6470 HD21 :: 0.3540 HD22 :: 0.3540 HD23 :: 0.3540 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 :: 121.7400 Ave N Shift Values>> N :: 121.86(3.9) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.49 C Shift Assignments>> C :: 174.9672 CA :: 57.9400 CB :: 40.6400 CG :: 27.7100 CD1 :: 25.4050 CD2 :: 24.2600 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 :: 8.1600 HA :: 3.8810 HB2 :: 1.5738 HB3 :: 1.8406 HG :: 1.8500 HD11 :: 0.9270 HD12 :: 0.9270 HD13 :: 0.9270 HD21 :: 0.8320 HD22 :: 0.8320 HD23 :: 0.8320 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 :: 117.3100 Ave N Shift Values>> N :: 121.86(3.9) 1.R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.43 G 0.06 K 0.06 C Shift Assignments>> C :: 177.8700 CA :: 58.4500 CB :: 30.3700 CG :: 27.7510 CD :: 43.3900 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 :: 7.7700 HA :: 4.1200 HB2 :: 1.8720 HB3 :: 1.8720 HG2 :: 1.7653 HG3 :: 1.6052 HD2 :: 3.1700 HD3 :: 3.2100 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 :: 117.9400 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.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.12 C Shift Assignments>> C :: 177.7300 CA :: 57.6000 CB :: 32.7700 CG :: 25.0000 CD :: 28.7000 CE :: 41.9000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6400 HA :: 4.1598 HB2 :: 1.9390 HB3 :: 1.9390 HG2 :: 1.5176 HG3 :: 1.4140 HD2 :: 1.6490 HD3 :: 1.6490 HE2 :: 2.9540 HE3 :: 2.9540 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 :: 118.3800 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 175.8400 CA :: 63.7200 CB :: 38.6700 CG1 :: 28.2049 CG2 :: 19.0752 CD1 :: 14.0846 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 :: 7.9800 HA :: 3.7813 HB :: 1.7700 HG12 :: 1.7900 HG13 :: 1.0122 HG21 :: 1.0732 HG22 :: 1.0732 HG23 :: 1.0732 HD11 :: 0.6741 HD12 :: 0.6741 HD13 :: 0.6741 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 :: 120.1600 Ave N Shift Values>> N :: 121.46(4.28) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.25 F 0.12 Y 0.11 L 0.09 C 0.09 HN Overlap>> 1.V100 1.A114 1.V100 1.A114 C Shift Assignments>> C :: 173.5800 CA :: 54.3000 CB :: 39.4900 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 :: 8.1600 HA :: 4.3800 HB2 :: 2.9220 HB3 :: 2.3289 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 :: 120.5100 Ave N Shift Values>> N :: 120.65(3.86) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 C 0.04 L 0.03 C Shift Assignments>> CA :: 49.8600 CB :: 21.0700 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6800 HA :: 4.5500 HB1 :: 0.8303 HB2 :: 0.8303 HB3 :: 0.8303 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8000 Ave N Shift Values>> N :: 123.23(3.54) 1.P99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 174.7600 CA :: 62.9500 CB :: 32.3100 CG :: 28.0000 CD :: 50.4600 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 :: 4.3695 HB2 :: 2.3150 HB3 :: 1.6900 HG2 :: 2.0500 HG3 :: 1.9900 HD2 :: 3.6500 HD3 :: 3.7100 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.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 HN Overlap>> 1.A114 1.D97 1.A114 1.D97 C Shift Assignments>> C :: 176.6500 CA :: 60.4500 CB :: 34.8300 CG1 :: 21.0750 CG2 :: 22.0620 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 :: 8.2700 HA :: 4.8324 HB :: 1.9450 HG11 :: 0.8020 HG12 :: 0.8020 HG13 :: 0.8020 HG21 :: 1.0190 HG22 :: 1.0190 HG23 :: 1.0190 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 :: 120.4900 Ave N Shift Values>> N :: 121.14(4.54) 1.M101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.29 A 0.26 C Shift Assignments>> C :: 174.4900 CA :: 54.7300 CB :: 34.5600 CG :: 32.7902 CE :: 17.4940 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.2400 HA :: 4.7052 HB2 :: 1.9672 HB3 :: 1.7407 HG2 :: 2.4394 HG3 :: 2.3598 HE1 :: 1.8913 HE2 :: 1.8913 HE3 :: 1.8913 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 :: 127.4200 Ave N Shift Values>> N :: 120.09(3.57) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 C 0.01 C Shift Assignments>> C :: 177.9346 CA :: 51.9300 CB :: 19.0400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7600 HA :: 4.6081 HB1 :: 1.4004 HB2 :: 1.4004 HB3 :: 1.4004 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.5900 Ave N Shift Values>> N :: 123.23(3.54) 1.K103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 K 0.42 R 0.09 C Shift Assignments>> CA :: 54.3700 CB :: 34.1900 CG :: 25.5000 CD :: 30.4800 CE :: 41.2100 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 :: 7.3000 HA :: 4.2840 HB2 :: 1.0148 HB3 :: 1.6581 HG2 :: 0.3260(S) HG3 :: 0.7600 HD2 :: 1.4500 HD3 :: 1.2700 HE2 :: 2.1100(S) HE3 :: 2.1500(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.2000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.8 P 0.18 C Shift Assignments>> C :: 174.9800 CA :: 62.6261 CB :: 33.8675 CG :: 24.8000 CD :: 50.1853 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 :: 4.6107 HB2 :: 2.2544 HB3 :: 2.0996 HG2 :: 1.9500 HG3 :: 2.0000 HD2 :: 3.4839 HD3 :: 3.6400 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.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 L 0.16 C 0.07 C Shift Assignments>> C :: 176.8900 CA :: 51.1766 CB :: 21.7349 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6677 HA :: 4.5756 HB1 :: 1.3717 HB2 :: 1.3717 HB3 :: 1.3717 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0820 Ave N Shift Values>> N :: 123.23(3.54) 1.D106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 K 0.11 N 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 178.3830 CA :: 54.3124 CB :: 41.2604 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 :: 8.8673 HA :: 4.6360 HB2 :: 2.8105 HB3 :: 2.6171 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 :: 122.3060 Ave N Shift Values>> N :: 120.65(3.86) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 176.3932 CA :: 65.9400 CB :: 68.1912 CG2 :: 23.6528 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 :: 8.6577 HA :: 3.5732 HB :: 4.0053 HG21 :: 1.2920 HG22 :: 1.2920 HG23 :: 1.2920 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 :: 119.5400 Ave N Shift Values>> N :: 115.42(4.75) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1434 CA :: 61.6500 CB :: 62.4500 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4800 HA :: 4.1400 HB2 :: 3.8580 HB3 :: 3.8580 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.0953 Ave N Shift Values>> N :: 116.28(3.52) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 L 0.14 D 0.14 C 0.1 K 0.07 I 0.03 N 0.02 C Shift Assignments>> C :: 178.4985 CA :: 56.9900 CB :: 40.5600 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.3500 HA :: 4.4000 HB2 :: 2.8190 HB3 :: 2.6060 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 :: 122.5200 Ave N Shift Values>> N :: 120.65(3.86) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.5348 CA :: 66.0900 CB :: 31.4000 CG1 :: 21.4000 CG2 :: 21.0700 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 :: 7.4400 HA :: 3.2620 HB :: 1.6895 HG11 :: 0.4960 HG12 :: 0.4960 HG13 :: 0.4960 HG21 :: 0.5496 HG22 :: 0.5496 HG23 :: 0.5496 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 :: 120.2100 Ave N Shift Values>> N :: 121.14(4.54) 1.A111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.68 A 0.27 I 0.02 C 0.01 C Shift Assignments>> C :: 179.0300 CA :: 54.5900 CB :: 16.4800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6100 HA :: 3.2643 HB1 :: 0.3580(S) HB2 :: 0.3580(S) HB3 :: 0.3580(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.7900 Ave N Shift Values>> N :: 123.23(3.54) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.38 R 0.13 HN Overlap>> 1.H89 1.H89 C Shift Assignments>> C :: 179.4700 CA :: 60.0200 CB :: 32.6800 CG :: 25.8790 CD :: 29.3240 CE :: 42.0300 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 :: 7.8400 HA :: 3.7501 HB2 :: 1.7620 HB3 :: 1.7620 HG2 :: 1.2800 HG3 :: 1.5100 HD2 :: 1.5830 HD3 :: 1.5830 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 :: 115.5400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.4 K 0.13 G 0.02 L 0.02 HN Overlap>> 1.Q40 1.Q40 C Shift Assignments>> C :: 179.1200 CA :: 58.1800 CB :: 29.5300 CG :: 26.9500 CD :: 42.7200 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 :: 7.8600 HA :: 4.0210 HB2 :: 1.7950 HB3 :: 1.8348 HG2 :: 1.7460 HG3 :: 1.5900 HD2 :: 3.2500 HD3 :: 3.1440 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 :: 118.5900 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.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.37 I 0.03 C 0.02 HN Overlap>> 1.V100 1.V100 1.D97 1.D97 C Shift Assignments>> C :: 179.2800 CA :: 55.0700 CB :: 17.9200 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1900 HA :: 4.0459 HB1 :: 1.4900 HB2 :: 1.4900 HB3 :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.5200 Ave N Shift Values>> N :: 123.23(3.54) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.41 R 0.01 A 0.01 C Shift Assignments>> C :: 180.4900 CA :: 57.6000 CB :: 40.5900 CG :: 27.5300 CD1 :: 26.3300 CD2 :: 22.3410 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 :: 8.3200 HA :: 4.2250 HB2 :: 1.9280 HB3 :: 1.4778 HG :: 2.1000 HD11 :: 0.9370 HD12 :: 0.9370 HD13 :: 0.9370 HD21 :: 0.8150 HD22 :: 0.8150 HD23 :: 0.8150 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.8200 Ave N Shift Values>> N :: 121.86(3.9) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.13 K 0.06 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.7900 CA :: 58.6251 CB :: 29.5480 CG :: 36.5660 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 :: 7.9042 HA :: 4.1090 HB2 :: 2.0760 HB3 :: 2.2108 HG2 :: 2.3118 HG3 :: 2.4953 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 :: 119.7891 Ave N Shift Values>> N :: 120.67(3.48) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.47 A 0.02 C Shift Assignments>> C :: 176.8900 CA :: 57.6377 CB :: 33.4665 CG :: 32.4080 CE :: 17.5916 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.7120 HA :: 4.2450 HB2 :: 2.2240 HB3 :: 2.3160 HG2 :: 2.5100 HG3 :: 2.9090 HE1 :: 1.9726 HE2 :: 1.9726 HE3 :: 1.9726 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.4264 Ave N Shift Values>> N :: 120.09(3.57) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.16 Q 0.14 E 0.13 H 0.11 I 0.1 R 0.09 L 0.02 M 0.01 C Shift Assignments>> C :: 174.7500 CA :: 58.5415 CB :: 28.5525 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.4281 HA :: 4.6990 HB2 :: 2.8300 HB3 :: 3.1410 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.9925 Ave N Shift Values>> N :: 120.17(4.64) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.6600 CA :: 45.7086 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0558 HA2 :: 4.0480 HA3 :: 4.0480 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.8231 Ave N Shift Values>> N :: 109.67(3.87) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.7900 CA :: 45.3260 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3010 HA2 :: 4.0151 HA3 :: 3.9494 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8207 Ave N Shift Values>> N :: 109.67(3.87) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 N 0.11 K 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.1600 CA :: 54.3130 CB :: 41.0790 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 :: 8.4384 HA :: 4.5910 HB2 :: 2.6570 HB3 :: 2.6300 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 :: 120.3830 Ave N Shift Values>> N :: 120.65(3.86) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.37 R 0.13 G 0.01 C Shift Assignments>> C :: 177.1839 CA :: 55.8900 CB :: 33.1900 CG :: 24.4680 CD :: 29.0283 CE :: 42.3680 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 :: 8.2578 HA :: 4.3500 HB2 :: 1.7500 HB3 :: 1.8350 HG2 :: 1.4270 HG3 :: 1.4320 HD2 :: 1.6674 HD3 :: 1.6674 HE2 :: 3.0030 HE3 :: 3.0170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.31 K 0.1 Q 0.08 M 0.06 I 0.01 C Shift Assignments>> CA :: 54.4700 CB :: 29.6400 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 :: 8.4200 HA :: 4.5500 HB2 :: 2.0338 HB3 :: 1.8973 HG2 :: 2.3100 HG3 :: 2.2300 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 :: 123.5600 Ave N Shift Values>> N :: 120.67(3.48) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.7700 CA :: 63.3500 CB :: 32.3000 CG :: 27.3030 CD :: 50.6230 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 :: 4.3840 HB2 :: 1.6900 HB3 :: 2.3100 HG2 :: 1.9870 HG3 :: 2.0500 HD2 :: 3.6880 HD3 :: 3.8093 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.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.08 L 0.05 C 0.05 C Shift Assignments>> CA :: 53.8000 CB :: 20.2400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0000 HA :: 4.1143 HB1 :: 1.3310 HB2 :: 1.3310 HB3 :: 1.3310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.3100 Ave N Shift Values>> N :: 123.23(3.54) 2.BEF1 Overall Status: Residue type BEF not supported. 3.MG1 Overall Status: Residue type MG not supported. ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 125 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 0 C Shift Results: #Consistent: 529 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 867 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V8 HG11 = -0.3003(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3782e-05 1.V8 HG12 = -0.3003(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3782e-05 1.V8 HG13 = -0.3003(S), Expected = 0.83, Std = 0.2600, ChiSquare = 1.3782e-05 1.A53 CB = 25.7500(S), Expected = 19.01, Std = 1.8300, ChiSquare = 2.3045e-04 1.G66 H = 11.2900(S), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2674e-06 1.K103 HG2 = 0.3260(S), Expected = 1.37, Std = 0.2600, ChiSquare = 5.9349e-05 1.K103 HE2 = 2.1100(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.0156e-05 1.K103 HE3 = 2.1500(S), Expected = 2.91, Std = 0.2000, ChiSquare = 1.4470e-04 1.A111 HB1 = 0.3580(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3597e-04 1.A111 HB2 = 0.3580(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3597e-04 1.A111 HB3 = 0.3580(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.3597e-04