Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.16 C 0.09 Y 0.06 F 0.06 L 0.04 C Shift Assignments>> C :: 174.5060 CA :: 53.0390 CB :: 38.6680 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 :: 8.3860 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 :: 119.1300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 K 0.26 C 0.11 A 0.03 HN Overlap>> 1.A93 1.A93 C Shift Assignments>> CA :: 54.4500 CB :: 41.8780 CD1 :: 23.2900 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 :: 8.0610 HA :: 4.5560 HB2 :: 1.5620 HB3 :: 1.5000 HD11 :: 0.8370 HD12 :: 0.8370 HD13 :: 0.8370 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8180 Ave N Shift Values>> N :: 121.86(3.9) 1.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 P 0.24 A 0.01 C Shift Assignments>> C :: 175.7370 CA :: 63.0220 CB :: 32.0400 CG :: 24.2680 CD :: 50.6140 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 :: 4.3140 HG2 :: 1.4330 HG3 :: 1.4330 HD2 :: 3.7280 HD3 :: 3.5690 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.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.S69 1.K17 1.R66 1.S69 1.K17 1.R66 C Shift Assignments>> C :: 171.7620 CA :: 57.5600 CB :: 65.3720 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.6810 HA :: 4.5180 HB2 :: 4.0190 HB3 :: 3.6450 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 :: 115.7710 Ave N Shift Values>> N :: 116.28(3.52) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.34 R 0.25 C Shift Assignments>> C :: 177.5400 CA :: 56.1580 CB :: 32.7470 CG :: 25.8990 CD :: 29.6490 CE :: 42.2050 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 :: 7.8980 HA :: 4.2450 HB2 :: 2.3730 HB3 :: 1.6400 HG2 :: 1.4080 HG3 :: 0.9930 HD2 :: 1.6220 HD3 :: 1.6260 HE2 :: 2.9650 HE3 :: 2.9650 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 :: 115.0300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.35 A 0.28 C Shift Assignments>> C :: 172.7620 CA :: 55.1850 CB :: 36.0080 CG :: 32.4210 CE :: 18.0720 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 :: 8.4810 HA :: 5.0000 HB2 :: 1.9630 HB3 :: 1.5150 HG2 :: 2.3750 HG3 :: 2.0880 HE1 :: 1.2750 HE2 :: 1.2750 HE3 :: 1.2750 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 :: 120.8340 Ave N Shift Values>> N :: 120.09(3.57) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.22 C 0.16 C Shift Assignments>> C :: 174.6600 CA :: 53.2670 CB :: 45.7920 CG :: 26.8770 CD1 :: 24.5940 CD2 :: 26.2250 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 :: 8.9880 HA :: 4.7700 HB2 :: 1.6860 HB3 :: 1.1220 HG :: 1.2630 HD11 :: 0.6270 HD12 :: 0.6270 HD13 :: 0.6270 HD21 :: 0.3560 HD22 :: 0.3560 HD23 :: 0.3560 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 :: 124.4820 Ave N Shift Values>> N :: 121.86(3.9) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.21 R 0.17 G 0.04 A 0.01 C Shift Assignments>> C :: 174.6600 CA :: 53.9520 CB :: 42.8570 CG :: 27.8550 CD1 :: 25.8990 CD2 :: 23.9420 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 :: 8.9130 HA :: 4.9000 HB2 :: 0.8780 HB3 :: 1.7870 HG :: 1.3020 HD11 :: 0.4050 HD12 :: 0.4050 HD13 :: 0.4050 HD21 :: 0.6820 HD22 :: 0.6820 HD23 :: 0.6820 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 :: 127.9270 Ave N Shift Values>> N :: 121.86(3.9) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.8140 CA :: 60.7500 CB :: 33.0730 CG1 :: 21.3330 CG2 :: 22.6370 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 :: 9.6060 HA :: 5.0890 HB :: 1.9210 HG11 :: 0.7430 HG12 :: 0.7430 HG13 :: 0.7430 HG21 :: 1.0920 HG22 :: 1.0920 HG23 :: 1.0920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.9590 Ave N Shift Values>> N :: 121.14(4.54) 1.Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 172.6090 CA :: 55.8250 CB :: 38.9430 CD1 :: 131.5960 CD2 :: 131.5960 CE1 :: 116.0510 CE2 :: 116.0510 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.0020 HA :: 5.0520 HB2 :: 3.0420 HB3 :: 2.7460 HD1 :: 6.8890 HD2 :: 6.8890 HE1 :: 6.5320 HE2 :: 6.5320 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 :: 123.2710 Ave N Shift Values>> N :: 120.52(4.2) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.19 N 0.18 C 0.15 D 0.11 L 0.05 I 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 176.7900 CA :: 55.7330 CB :: 38.6170 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 :: 9.1980 HA :: 4.3820 HB2 :: 2.9470 HB3 :: 2.4850 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 :: 120.0680 Ave N Shift Values>> N :: 120.65(3.86) 1.L12 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 :: 178.1210 CA :: 58.1990 CB :: 41.8780 CG :: 26.8770 CD1 :: 25.2460 CD2 :: 23.2900 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 :: 8.0810 HA :: 3.5210 HB2 :: 1.1970 HB3 :: 0.8550 HG :: 1.0480 HD11 :: 0.6270 HD12 :: 0.6270 HD13 :: 0.6270 HD21 :: 0.6490 HD22 :: 0.6490 HD23 :: 0.6490 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 :: 113.3150 Ave N Shift Values>> N :: 121.86(3.9) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 Y 0.05 C Shift Assignments>> C :: 175.5060 CA :: 58.2910 CB :: 36.0080 CD1 :: 130.5830 CD2 :: 130.5830 CE1 :: 116.0800 CE2 :: 116.0800 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.7360 HA :: 4.2700 HB2 :: 3.1950 HB3 :: 2.7550 HD1 :: 6.9740 HD2 :: 6.9740 HE1 :: 6.5850 HE2 :: 6.5850 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 :: 110.4190 Ave N Shift Values>> N :: 120.52(4.2) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.23 A 0.1 C Shift Assignments>> C :: 177.9670 CA :: 54.8650 CB :: 41.2260 CD1 :: 25.2460 CD2 :: 22.3110 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 :: 7.3060 HA :: 4.2240 HB2 :: 1.2430 HB3 :: 1.5380 HD11 :: 0.7010 HD12 :: 0.7010 HD13 :: 0.7010 HD21 :: 0.6530 HD22 :: 0.6530 HD23 :: 0.6530 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 :: 118.1930 Ave N Shift Values>> N :: 121.86(3.9) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T23 1.T23 C Shift Assignments>> CA :: 55.0110 CB :: 64.1970 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5010 HA :: 4.9000 HB2 :: 4.1540 HB3 :: 3.9140 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 :: 113.4580 Ave N Shift Values>> N :: 116.28(3.52) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.35 S 0.01 C Shift Assignments>> C :: 175.7620 CA :: 64.4410 CB :: 31.7690 CG :: 27.2030 CD :: 52.2880 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 :: 4.1950 HB2 :: 2.1600 HB3 :: 1.8680 HG2 :: 1.9470 HG3 :: 1.8650 HD2 :: 3.7370 HD3 :: 3.5980 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.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 M 0.14 R 0.12 H 0.1 W 0.1 E 0.08 Q 0.05 V 0.03 HN Overlap>> 1.S69 1.S69 1.R66 1.S4 1.R66 1.S4 C Shift Assignments>> C :: 177.5130 CA :: 57.5750 CB :: 32.0950 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 :: 7.6870 HA :: 4.0450 HB2 :: 1.4600 HB3 :: 1.4190 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 :: 115.8020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.29 R 0.02 A 0.01 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> C :: 177.8650 CA :: 55.5960 CB :: 41.5520 CG :: 26.5510 CD1 :: 25.5720 CD2 :: 23.6160 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 :: 7.4140 HA :: 4.1300 HB2 :: 1.5180 HB3 :: 1.7760 HG :: 1.2220 HD11 :: 0.6660 HD12 :: 0.6660 HD13 :: 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 :: 117.6460 Ave N Shift Values>> N :: 121.86(3.9) 1.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 W 0.18 C Shift Assignments>> C :: 177.8130 CA :: 59.2040 CB :: 28.8340 CD1 :: 124.5300 CE3 :: 118.5240 CZ2 :: 112.1650 CZ3 :: 119.2310 CH2 :: 122.0570 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 :: 7.7580 HA :: 4.4740 HB2 :: 3.3660 HB3 :: 3.2050 HD1 :: 7.2180 HE1 :: 9.9310 HE3 :: 7.4480 HZ2 :: 7.3680 HZ3 :: 6.9950 HH2 :: 7.0950 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 :: 119.7940 NE1 :: 128.8090 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.32 C 0.01 HN Overlap>> 1.F96 1.F96 C Shift Assignments>> C :: 177.2010 CA :: 53.5870 CB :: 18.0720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7770 HA :: 3.9240 HB1 :: 1.1850 HB2 :: 1.1850 HB3 :: 1.1850 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.4590 Ave N Shift Values>> N :: 123.23(3.54) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 L 0.27 A 0.03 C Shift Assignments>> C :: 176.8130 CA :: 55.3220 CB :: 41.8780 CG :: 28.8340 CD2 :: 22.9640 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 :: 7.6970 HA :: 4.1510 HB2 :: 1.7710 HB3 :: 1.5290 HG :: 1.5660 HD21 :: 0.7730 HD22 :: 0.7730 HD23 :: 0.7730 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 :: 117.2550 Ave N Shift Values>> N :: 121.86(3.9) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.11 C 0.01 C Shift Assignments>> C :: 178.3260 CA :: 52.4910 CB :: 19.0500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5400 HA :: 4.0520 HB1 :: 1.1740 HB2 :: 1.1740 HB3 :: 1.1740 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.0050 Ave N Shift Values>> N :: 123.23(3.54) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 HN Overlap>> 1.S15 1.S15 C Shift Assignments>> CA :: 60.1180 CB :: 69.2180 CG2 :: 21.0070 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 :: 7.5540 HA :: 4.3870 HB :: 4.0830 HG21 :: 1.0460 HG22 :: 1.0460 HG23 :: 1.0460 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 :: 113.5050 Ave N Shift Values>> N :: 115.42(4.75) 1.P24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.5300 CB :: 41.3800 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> HA :: 4.7600 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) 1.G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.7880 CA :: 45.0970 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 K 0.17 Q 0.16 C 0.16 R 0.08 H 0.08 W 0.04 E 0.02 HN Overlap>> 1.E105 1.E105 C Shift Assignments>> C :: 176.7370 CA :: 54.9800 CB :: 33.0650 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 :: 8.2820 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 :: 120.0210 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.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.22 HN Overlap>> 1.N106 1.N106 C Shift Assignments>> C :: 176.8390 CA :: 65.0050 CB :: 30.1380 CG1 :: 21.6590 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 :: 8.0030 HA :: 3.7510 HB :: 2.1250 HG11 :: 0.9070 HG12 :: 0.9070 HG13 :: 0.9070 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 :: 120.0680 Ave N Shift Values>> N :: 121.14(4.54) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.22 C 0.19 W 0.12 R 0.11 K 0.07 Q 0.07 E 0.06 H 0.05 L 0.02 P 0.01 HN Overlap>> 1.C79 1.C79 C Shift Assignments>> C :: 177.6080 CA :: 59.7070 CB :: 27.8550 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 :: 8.4160 HA :: 3.9900 HB2 :: 2.1150 HB3 :: 1.9640 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.3640 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.11 V 0.11 Q 0.1 M 0.1 I 0.05 Y 0.04 F 0.02 W 0.01 R 0.01 H 0.01 HN Overlap>> 1.M114 1.M114 C Shift Assignments>> C :: 177.7880 CA :: 59.3870 CB :: 34.9300 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 :: 8.2580 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 :: 119.4890 Ave N Shift Values>> N :: 120.67(3.48) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.38 R 0.12 C Shift Assignments>> C :: 179.2490 CA :: 59.2960 CB :: 32.4210 CE :: 41.8780 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 :: 7.7650 HA :: 3.9340 HB2 :: 1.9520 HB3 :: 1.7830 HE2 :: 2.9170 HE3 :: 2.9170 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8640 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.6340 CA :: 66.9050 CB :: 31.4430 CG1 :: 21.0070 CG2 :: 22.6370 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 :: 8.0850 HA :: 3.5050 HB :: 2.2220 HG11 :: 0.7810 HG12 :: 0.7810 HG13 :: 0.7810 HG21 :: 1.0220 HG22 :: 1.0220 HG23 :: 1.0220 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 :: 121.6620 Ave N Shift Values>> N :: 121.14(4.54) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.16 M 0.04 HN Overlap>> 1.E95 1.E95 1.E36 1.E36 C Shift Assignments>> C :: 176.8130 CA :: 61.1120 CB :: 29.8120 CG :: 34.0520 CE :: 18.0720 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 :: 8.2970 HA :: 3.6760 HB2 :: 2.0990 HB3 :: 2.0170 HG2 :: 2.6690 HG3 :: 2.0760 HE1 :: 1.7910 HE2 :: 1.7910 HE3 :: 1.7910 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 :: 117.9270 Ave N Shift Values>> N :: 120.09(3.57) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 I 0.25 K 0.04 Q 0.01 HN Overlap>> 1.E95 1.M35 1.E95 1.M35 C Shift Assignments>> C :: 178.2240 CA :: 59.7070 CB :: 29.1600 CG :: 36.6600 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 :: 8.4050 HA :: 3.6740 HB2 :: 2.0820 HB3 :: 1.9980 HG2 :: 2.4700 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 :: 117.9120 Ave N Shift Values>> N :: 120.67(3.48) 1.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.17 E 0.11 R 0.1 H 0.08 V 0.08 I 0.06 Q 0.05 K 0.04 M 0.03 P 0.01 C Shift Assignments>> C :: 177.5060 CA :: 60.0310 CB :: 30.4640 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 :: 7.9670 HA :: 4.2340 HB2 :: 3.1840 HB3 :: 3.0610 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.3810 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 L 0.22 R 0.13 I 0.1 C Shift Assignments>> CA :: 57.8950 CB :: 41.5520 CD1 :: 26.5510 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 :: 3.8900 HB2 :: 2.0450 HB3 :: 1.2500 HD11 :: 0.6040 HD12 :: 0.6040 HD13 :: 0.6040 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 :: 117.2090 Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 L 0.02 HN Overlap>> 1.S49 1.S49 C Shift Assignments>> C :: 177.0960 CA :: 60.7500 CB :: 39.2690 CD1 :: 24.2680 CD2 :: 27.5290 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 :: 9.0170 HA :: 4.0090 HB2 :: 1.5710 HB3 :: 1.5710 HD11 :: 0.8140 HD12 :: 0.8140 HD13 :: 0.8140 HD21 :: 0.5500 HD22 :: 0.5500 HD23 :: 0.5500 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 :: 122.3020 Ave N Shift Values>> N :: 121.86(3.9) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.09 HN Overlap>> 1.S101 1.S101 C Shift Assignments>> C :: 179.1210 CA :: 58.5730 CB :: 32.0950 CG :: 25.2460 CE :: 41.8780 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 :: 7.5810 HA :: 3.8580 HB2 :: 1.7220 HB3 :: 1.7220 HG2 :: 1.4640 HG3 :: 1.3390 HE2 :: 2.8540 HE3 :: 2.8540 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 :: 112.6140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.35 R 0.04 G 0.02 C Shift Assignments>> C :: 178.7110 CA :: 57.4230 CB :: 42.5310 CG :: 26.5510 CD1 :: 25.2460 CD2 :: 24.9200 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 :: 8.1750 HA :: 3.8120 HB2 :: 1.0010 HB3 :: 1.0890 HG :: 0.6520 HD11 :: 0.3550 HD12 :: 0.3550 HD13 :: 0.3550 HD21 :: 0.6310 HD22 :: 0.6310 HD23 :: 0.6310 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 :: 120.0680 Ave N Shift Values>> N :: 121.86(3.9) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.44 C Shift Assignments>> C :: 177.7880 CA :: 61.0770 CB :: 38.2910 CD1 :: 130.4170 CD2 :: 130.4170 CE1 :: 128.7700 CE2 :: 128.7700 CZ :: 128.4170 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 :: 8.2980 HA :: 4.8800 HB2 :: 3.5130 HB3 :: 2.9840 HD1 :: 7.0710 HD2 :: 7.0710 HE1 :: 7.1500 HE2 :: 7.1500 HZ :: 7.4820 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 :: 112.6140 Ave N Shift Values>> N :: 120.45(4.18) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.8900 CA :: 46.1180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.1150 HA2 :: 4.0700 HA3 :: 4.4110 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.1760 Ave N Shift Values>> N :: 109.67(3.87) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.3780 CA :: 63.8630 CB :: 68.6840 CG2 :: 20.6810 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 :: 6.8380 HA :: 3.7220 HB :: 3.3060 HG21 :: 0.5770 HG22 :: 0.5770 HG23 :: 0.5770 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.0830 Ave N Shift Values>> N :: 115.42(4.75) 1.F45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 F 0.01 C Shift Assignments>> C :: 175.1980 CA :: 60.0260 CB :: 39.2690 CD1 :: 128.7700 CD2 :: 128.7700 CE1 :: 127.9630 CE2 :: 127.9630 CZ :: 128.6700 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 :: 7.5510 HA :: 4.2080 HB2 :: 3.2410 HB3 :: 2.9410 HD1 :: 7.2320 HD2 :: 7.2320 HE1 :: 6.9010 HE2 :: 6.9010 HZ :: 7.4040 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.1930 Ave N Shift Values>> N :: 120.45(4.18) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.1670 CA :: 44.4870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.4020 HA2 :: 3.9530 HA3 :: 4.2070 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.1760 Ave N Shift Values>> N :: 109.67(3.87) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 177.0440 CA :: 64.0450 CB :: 32.4210 CG1 :: 21.9850 CG2 :: 21.9850 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 :: 8.0490 HA :: 3.9040 HB :: 1.8060 HG11 :: 0.7800 HG12 :: 0.7800 HG13 :: 0.7800 HG21 :: 1.0160 HG22 :: 1.0160 HG23 :: 1.0160 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 :: 116.7080 Ave N Shift Values>> N :: 121.14(4.54) 1.I48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 166.4030(A) CA :: 60.8480 CB :: 39.5960 CG1 :: 27.8550 CG2 :: 17.7460 CD1 :: 14.1580 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 :: 8.7040 HA :: 4.0260 HB :: 1.5660 HG12 :: 0.2840 HG13 :: 1.5850 HG21 :: 0.5270 HG22 :: 0.5270 HG23 :: 0.5270 HD11 :: 0.5000 HD12 :: 0.5000 HD13 :: 0.5000 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 :: 131.0520 Ave N Shift Values>> N :: 121.46(4.28) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 176.1470 CA :: 59.4920 CB :: 64.6490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.9950 HA :: 4.4000 HB2 :: 3.7650 HB3 :: 3.5050 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 :: 122.3020 Ave N Shift Values>> N :: 116.28(3.52) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.8910 CA :: 57.6510 CB :: 65.1590 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5650 HA :: 5.2010 HB2 :: 3.6890 HB3 :: 3.5810 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3010 Ave N Shift Values>> N :: 116.28(3.52) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.44 C Shift Assignments>> C :: 172.8910 CA :: 60.8480 CB :: 35.0300 CG1 :: 21.3330 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 :: 8.1450 HA :: 4.9500 HB :: 1.8150 HG11 :: 0.8870 HG12 :: 0.8870 HG13 :: 0.8870 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 :: 120.4570 Ave N Shift Values>> N :: 121.14(4.54) 1.R52 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 G 0.25 C Shift Assignments>> C :: 174.6340 CA :: 54.3170 CB :: 34.7040 CG :: 33.1990(S) CD :: 43.5090 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 :: 8.3070 HA :: 5.1610 HB2 :: 1.8140 HB3 :: 1.4800 HG2 :: 1.9130 HG3 :: 1.9130 HD2 :: 3.1830 HD3 :: 2.7190 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.8020 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.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 I 0.26 A 0.02 C Shift Assignments>> C :: 175.4030 CA :: 58.2160 CB :: 37.9650 CG2 :: 17.0930 CD1 :: 10.2450 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 :: 8.6240 HA :: 4.7200 HB :: 1.9530 HG21 :: 0.8030 HG22 :: 0.8030 HG23 :: 0.8030 HD11 :: 0.6730 HD12 :: 0.6730 HD13 :: 0.6730 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.1770 Ave N Shift Values>> N :: 121.46(4.28) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.68 C 0.19 R 0.08 G 0.01 A 0.01 C Shift Assignments>> C :: 175.0960 CA :: 53.4040 CB :: 42.2050 CG :: 27.2030 CD1 :: 26.2250 CD2 :: 24.2680 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 :: 9.2830 HA :: 4.7300 HB2 :: 1.8220 HB3 :: 1.4080 HG :: 1.4210 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 HD21 :: 0.7200 HD22 :: 0.7200 HD23 :: 0.7200 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 :: 130.1500 Ave N Shift Values>> N :: 121.86(3.9) 1.K55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.11 G 0.08 C Shift Assignments>> CA :: 53.4040 CB :: 33.3990 CD :: 29.4860 CE :: 42.9400 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 :: 8.4200 HA :: 4.6390 HB2 :: 1.7830 HB3 :: 1.4880 HD2 :: 1.9830 HD3 :: 1.8950 HE2 :: 3.6820(S) HE3 :: 3.4550 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 :: 123.2390 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.36 C 0.14 W 0.01 C Shift Assignments>> C :: 177.0190 CA :: 63.5500 CB :: 32.7470 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 :: 3.8930 HB2 :: 1.7980 HB3 :: 1.7980 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.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.1120 CA :: 45.4660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.6230 HA2 :: 4.1230 HA3 :: 3.6810 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4260 Ave N Shift Values>> N :: 109.67(3.87) 1.R58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.4 K 0.11 G 0.02 C Shift Assignments>> C :: 176.0960 CA :: 56.8200 CB :: 31.1160 CG :: 26.8770 CD :: 42.8570 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 :: 7.3550 HA :: 4.1130 HB2 :: 1.4550 HB3 :: 1.3580 HG2 :: 1.2110 HG3 :: 1.1500 HD2 :: 3.0210 HD3 :: 3.0210 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 :: 118.5830 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.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.29 Q 0.13 K 0.12 M 0.06 I 0.02 C Shift Assignments>> C :: 176.4550 CA :: 57.0120 CB :: 29.8120 CG :: 35.6820 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 :: 8.5930 HA :: 4.0590 HB2 :: 1.8720 HB3 :: 1.8720 HG2 :: 2.2030 HG3 :: 2.1660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.3340 Ave N Shift Values>> N :: 120.67(3.48) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.15 G 0.15 R 0.06 K 0.01 C Shift Assignments>> CA :: 52.1250 CB :: 43.1830 CG :: 26.5510 CD1 :: 26.2250 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 :: 8.5770 HA :: 4.6500 HB2 :: 1.5180 HB3 :: 1.0940 HG :: 1.7370 HD11 :: 0.7750 HD12 :: 0.7750 HD13 :: 0.7750 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.3570 Ave N Shift Values>> N :: 121.86(3.9) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.06 A 0.04 S 0.01 C Shift Assignments>> CA :: 65.0000 CB :: 34.0520 CG :: 24.5940 CD :: 51.9620 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 :: 4.2610 HB2 :: 2.0490 HB3 :: 2.2470 HG2 :: 1.8420 HG3 :: 1.7830 HD2 :: 3.5130 HD3 :: 3.3940 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.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.5 P 0.36 C 0.09 I 0.01 C Shift Assignments>> C :: 178.3520 CA :: 65.4700 CB :: 31.8300 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) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.24 C 0.14 D 0.12 N 0.08 L 0.07 I 0.05 C Shift Assignments>> CA :: 56.5550 CB :: 39.2690 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 :: 8.9470 HA :: 4.2860 HB2 :: 2.6220 HB3 :: 2.5160 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 :: 115.1070 Ave N Shift Values>> N :: 120.65(3.86) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> C :: 177.7370 CA :: 60.4370 CB :: 36.6600 CG1 :: 27.2030 CG2 :: 18.3980 CD1 :: 10.2450 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 :: 7.3400 HA :: 4.0360 HB :: 1.8920 HG12 :: 1.1900 HG13 :: 1.3500 HG21 :: 0.7930 HG22 :: 0.7930 HG23 :: 0.7930 HD11 :: 0.6050 HD12 :: 0.6050 HD13 :: 0.6050 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 :: 117.6460 Ave N Shift Values>> N :: 121.46(4.28) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.28 K 0.18 I 0.05 G 0.03 L 0.01 C Shift Assignments>> C :: 178.6080 CA :: 59.7520 CB :: 29.4860 CD :: 42.8570 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 :: 8.2080 HA :: 3.8080 HB2 :: 1.8340 HB3 :: 1.8340 HD2 :: 3.1890 HD3 :: 3.1430 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.3340 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.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 HN Overlap>> 1.S69 1.K17 1.S69 1.K17 1.S4 1.S4 C Shift Assignments>> CA :: 58.8850 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 :: 7.7320 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 :: 115.7390 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.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.5570 CA :: 62.8580 CB :: 38.6170 CG1 :: 27.2030 CG2 :: 18.3980 CD1 :: 14.1580 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 :: 7.4750 HA :: 4.3300 HB :: 2.2340 HG12 :: 1.4460 HG13 :: 1.5420 HG21 :: 0.9620 HG22 :: 0.9620 HG23 :: 0.9620 HD11 :: 0.8240 HD12 :: 0.8240 HD13 :: 0.8240 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 :: 113.8960 Ave N Shift Values>> N :: 121.46(4.28) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1730 CA :: 61.3050 CB :: 62.9150 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8800 HA :: 4.1660 HB2 :: 3.9570 HB3 :: 3.7550 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 :: 116.3180 Ave N Shift Values>> N :: 116.28(3.52) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K17 1.R66 1.S4 1.K17 1.R66 1.S4 C Shift Assignments>> C :: 174.8390 CA :: 60.6660 CB :: 62.7020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7520 HA :: 4.1150 HB2 :: 3.8720 HB3 :: 3.7790 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 :: 115.7710 Ave N Shift Values>> N :: 116.28(3.52) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 W 0.13 E 0.13 C 0.12 Q 0.1 M 0.09 K 0.08 C Shift Assignments>> C :: 175.2750 CA :: 56.4640 CB :: 30.7640 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3720 HA :: 4.3500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.1300 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.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Y 0.3 C Shift Assignments>> CA :: 56.6470 CB :: 37.9650 CD1 :: 131.2430 CD2 :: 131.2430 CE1 :: 115.9450 CE2 :: 115.9450 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.5300 HA :: 4.6200 HB2 :: 2.7330 HB3 :: 2.6280 HD1 :: 7.0820 HD2 :: 7.0820 HE1 :: 6.7210 HE2 :: 6.7210 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1300 Ave N Shift Values>> N :: 120.52(4.2) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.5830 CA :: 60.6700 CB :: 62.7000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.1000 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.Q73 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 R 0.26 K 0.13 L 0.06 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 177.4800 CA :: 59.2040 CB :: 26.8770 CG :: 28.1810(S) 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 :: 9.3160 HA :: 4.1400 HB2 :: 1.6810 HB3 :: 1.5770 HG2 :: 1.6270 HG3 :: 1.5610 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.3960 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 176.3520 CA :: 64.6390 CB :: 30.4640 CG1 :: 22.6370 CG2 :: 22.3110 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 :: 7.5400 HA :: 3.7680 HB :: 2.1240 HG11 :: 0.8870 HG12 :: 0.8870 HG13 :: 0.8870 HG21 :: 0.7790 HG22 :: 0.7790 HG23 :: 0.7790 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.2550 Ave N Shift Values>> N :: 121.14(4.54) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.7050 CA :: 44.8130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.9720 HA2 :: 3.8070 HA3 :: 4.3260 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.5520 Ave N Shift Values>> N :: 109.67(3.87) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 177.0220 CA :: 61.9300 CB :: 70.8340 CG2 :: 21.3330 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 :: 7.5200 HA :: 4.4700 HB :: 4.2540 HG21 :: 1.1610 HG22 :: 1.1610 HG23 :: 1.1610 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.5440 Ave N Shift Values>> N :: 115.42(4.75) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.3 Q 0.13 E 0.01 HN Overlap>> 1.M107 1.M107 1.E85 1.E85 C Shift Assignments>> C :: 174.1980 CA :: 54.1350 CB :: 32.4730 CG :: 33.3990 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 :: 8.1010 HA :: 4.8000 HG2 :: 2.4870 HG3 :: 2.1950 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 :: 119.1300 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.29 Q 0.23 M 0.1 R 0.05 E 0.01 HN Overlap>> 1.Y10 1.Y10 C Shift Assignments>> C :: 175.3260 CA :: 57.7430 CB :: 29.4860 CG :: 32.7470 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.0270 HA :: 4.7700 HB2 :: 2.1170 HB3 :: 2.0820 HG2 :: 2.2880 HG3 :: 2.1050 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 :: 123.2710 Ave N Shift Values>> N :: 120.67(3.48) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.14 H 0.13 M 0.12 W 0.12 K 0.11 E 0.11 Q 0.07 V 0.02 HN Overlap>> 1.Q31 1.Q31 C Shift Assignments>> C :: 172.1210 CA :: 57.1030 CB :: 31.4430 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.4920 HA :: 5.2500 HB2 :: 2.9260 HB3 :: 2.8930 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.3960 Ave N Shift Values>> N :: 120.17(4.64) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.22 A 0.17 P 0.06 K 0.05 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> C :: 175.7880 CA :: 50.1160 CB :: 23.6160 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4050 HA :: 5.6130 HB1 :: 1.1440 HB2 :: 1.1440 HB3 :: 1.1440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3960 Ave N Shift Values>> N :: 123.23(3.54) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> C :: 176.0960 CA :: 59.4780 CB :: 39.9220 CG1 :: 27.5290 CG2 :: 17.0930 CD1 :: 12.8540 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 :: 8.9160 HA :: 5.0870 HB :: 1.5040 HG12 :: 1.3720 HG13 :: 1.3720 HG21 :: 0.6380 HG22 :: 0.6380 HG23 :: 0.6380 HD11 :: 0.6630 HD12 :: 0.6630 HD13 :: 0.6630 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.5520 Ave N Shift Values>> N :: 121.46(4.28) 1.V82 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 :: 172.9160 CA :: 61.2590 CB :: 33.3990 CG1 :: 20.6810 CG2 :: 21.3330 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 :: 8.9610 HA :: 4.2410 HB :: 1.5200 HG11 :: 0.6580 HG12 :: 0.6580 HG13 :: 0.6580 HG21 :: 0.1920 HG22 :: 0.1920 HG23 :: 0.1920 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 :: 130.1150 Ave N Shift Values>> N :: 121.14(4.54) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.29 E 0.15 C Shift Assignments>> C :: 175.1730 CA :: 54.0890 CB :: 33.0730 CG :: 36.6600 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 :: 8.5820 HA :: 5.0360 HB2 :: 1.9030 HB3 :: 1.5280 HG2 :: 1.9630 HG3 :: 1.9630 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.6150 Ave N Shift Values>> N :: 120.67(3.48) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.2 Y 0.06 C Shift Assignments>> C :: 175.6080 CA :: 58.1540 CB :: 40.9000 CD1 :: 129.8300 CD2 :: 129.8300 CE1 :: 128.0630 CE2 :: 128.0630 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 :: 8.8810 HA :: 4.7500 HB2 :: 3.5380 HB3 :: 2.7040 HD1 :: 7.0560 HD2 :: 7.0560 HE1 :: 7.0490 HE2 :: 7.0490 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 126.3650 Ave N Shift Values>> N :: 120.45(4.18) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.23 E 0.17 M 0.01 HN Overlap>> 1.M107 1.Q77 1.M107 1.Q77 C Shift Assignments>> C :: 177.0960 CA :: 59.7980 CB :: 30.4640 CG :: 37.9650 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 :: 8.2020 HA :: 4.0360 HB2 :: 1.9600 HB3 :: 2.0890 HG2 :: 2.1690 HG3 :: 2.1420 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 :: 119.1300 Ave N Shift Values>> N :: 120.67(3.48) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.3 E 0.18 Q 0.09 C Shift Assignments>> C :: 176.7620 CA :: 53.8610 CB :: 31.7690 CG :: 35.3560 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 :: 8.7930 HA :: 4.8300 HB2 :: 2.3220 HB3 :: 1.9310 HG2 :: 2.4010 HG3 :: 2.4010 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 :: 115.7710 Ave N Shift Values>> N :: 120.67(3.48) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.13 C Shift Assignments>> C :: 177.0960 CA :: 65.6900 CB :: 31.4430 CG1 :: 20.6810 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 :: 8.8570 HA :: 3.5720 HB :: 1.9260 HG11 :: 0.8790 HG12 :: 0.8790 HG13 :: 0.8790 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 :: 123.8180 Ave N Shift Values>> N :: 121.14(4.54) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.29 E 0.24 K 0.05 Q 0.02 C Shift Assignments>> C :: 178.3260 CA :: 60.3460 CB :: 28.8340 CG :: 36.2250 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 :: 8.9350 HA :: 3.7940 HB2 :: 2.0300 HB3 :: 1.9050 HG2 :: 2.3240 HG3 :: 2.2580 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 :: 117.9190 Ave N Shift Values>> N :: 120.67(3.48) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.11 L 0.1 C 0.08 V 0.02 C Shift Assignments>> C :: 177.2490 CA :: 54.6830 CB :: 20.3550 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.6090 HA :: 3.8610 HB1 :: 1.2920 HB2 :: 1.2920 HB3 :: 1.2920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0680 Ave N Shift Values>> N :: 123.23(3.54) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.01 C Shift Assignments>> C :: 179.2490 CA :: 54.6830 CB :: 17.7460 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.5550 HA :: 2.9750 HB1 :: 1.2860 HB2 :: 1.2860 HB3 :: 1.2860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7940 Ave N Shift Values>> N :: 123.23(3.54) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 178.6600 CA :: 65.5070 CB :: 37.9650 CG2 :: 16.7670 CD1 :: 13.5060 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 :: 8.0000 HA :: 3.5340 HB :: 1.7350 HG21 :: 0.8460 HG22 :: 0.8460 HG23 :: 0.8460 HD11 :: 0.7470 HD12 :: 0.7470 HD13 :: 0.7470 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.9820 Ave N Shift Values>> N :: 121.46(4.28) 1.K92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.39 R 0.12 G 0.01 C Shift Assignments>> C :: 179.3770 CA :: 59.2040 CB :: 32.0950 CG :: 25.2460 CE :: 42.2880 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 :: 7.6250 HA :: 3.9450 HB2 :: 1.9610 HB3 :: 1.8140 HG2 :: 1.6580 HG3 :: 1.5620 HE2 :: 3.8400(S) HE3 :: 3.1810 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 :: 119.7940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A93 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.68 M 0.15 C 0.07 L 0.06 V 0.01 HN Overlap>> 1.L2 1.L2 C Shift Assignments>> C :: 175.1210 CA :: 54.6910 CB :: 20.0280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0740 HA :: 2.5460(S) HB1 :: 1.0950 HB2 :: 1.0950 HB3 :: 1.0950 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.8180 Ave N Shift Values>> N :: 123.23(3.54) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 W 0.16 V 0.12 E 0.09 R 0.08 I 0.08 H 0.06 Q 0.04 K 0.03 P 0.03 M 0.02 C Shift Assignments>> C :: 176.8390 CA :: 60.6200 CB :: 30.4640 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 :: 8.2350 HA :: 3.8090 HB2 :: 3.3380 HB3 :: 2.9260 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.1930 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.3 I 0.24 K 0.04 Q 0.01 HN Overlap>> 1.M35 1.E36 1.M35 1.E36 C Shift Assignments>> C :: 179.4540 CA :: 59.5700 CB :: 29.1600 CG :: 36.6600 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 :: 8.4020 HA :: 3.6880 HB2 :: 1.6230 HB3 :: 1.6230 HG2 :: 2.0860 HG3 :: 2.0860 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 :: 117.9190 Ave N Shift Values>> N :: 120.67(3.48) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 F 0.39 Y 0.13 HN Overlap>> 1.A20 1.A20 C Shift Assignments>> C :: 177.2490 CA :: 60.6200 CB :: 39.5960 CD1 :: 129.8300 CD2 :: 129.8300 CE1 :: 130.7900 CE2 :: 130.7900 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 :: 7.8750 HA :: 4.3060 HB2 :: 3.2060 HB3 :: 2.9550 HD1 :: 7.1900 HD2 :: 7.1900 HE1 :: 6.9840 HE2 :: 6.9840 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.4590 Ave N Shift Values>> N :: 120.45(4.18) 1.M97 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 C Shift Assignments>> C :: 175.4290 CA :: 55.8700 CB :: 30.1380 CG :: 32.4210 CE :: 24.5940(S) 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 :: 7.9110 HA :: 4.1490 HB2 :: 2.2690 HB3 :: 1.9840 HG2 :: 2.9710 HG3 :: 2.5970 HE1 :: 1.2530 HE2 :: 1.2530 HE3 :: 1.2530 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 :: 117.6460 Ave N Shift Values>> N :: 120.09(3.57) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.5130 CA :: 64.5480 CB :: 37.3130 CG1 :: 27.2030 CG2 :: 16.7670 CD1 :: 12.2020 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 :: 8.0400 HA :: 3.7290 HB :: 1.8630 HG12 :: 0.9420 HG13 :: 1.2850 HG21 :: 0.7550 HG22 :: 0.7550 HG23 :: 0.7550 HD11 :: 0.5700 HD12 :: 0.5700 HD13 :: 0.5700 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 :: 121.0520 Ave N Shift Values>> N :: 121.46(4.28) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.1980 CA :: 65.3240 CB :: 69.1100 CG2 :: 21.6590 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 :: 7.5650 HA :: 3.9950 HB :: 4.2140 HG21 :: 1.2140 HG22 :: 1.2140 HG23 :: 1.2140 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 :: 114.4890 Ave N Shift Values>> N :: 115.42(4.75) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.09 I 0.08 Q 0.05 M 0.03 C Shift Assignments>> C :: 173.8140 CA :: 57.6510 CB :: 29.4860 CG :: 36.3340 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 :: 7.9200 HA :: 4.1340 HB2 :: 1.6050 HB3 :: 1.5760 HG2 :: 1.6710 HG3 :: 1.6260 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 :: 121.0050 Ave N Shift Values>> N :: 120.67(3.48) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 177.8130 CA :: 56.4800 CB :: 65.2950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5650 HA :: 4.2120 HB2 :: 3.9740 HB3 :: 3.9740 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.5670 Ave N Shift Values>> N :: 116.28(3.52) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 Q 0.14 C 0.12 K 0.11 L 0.11 H 0.1 W 0.1 E 0.08 I 0.03 M 0.01 C Shift Assignments>> C :: 176.6600 CA :: 56.5550 CB :: 27.8550 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 :: 7.5220 HA :: 4.2120 HB2 :: 2.0390 HB3 :: 1.8640 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 :: 120.7320 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.6080 CA :: 45.4660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.5180 HA2 :: 3.9310 HA3 :: 3.8460 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.3640 Ave N Shift Values>> N :: 109.67(3.87) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.22 K 0.17 C 0.17 H 0.05 R 0.05 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 175.4800 CA :: 55.5960 CB :: 33.7550 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 :: 7.5990 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 :: 118.5830 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.25 C 0.24 E 0.1 M 0.06 R 0.02 HN Overlap>> 1.R29 1.R29 C Shift Assignments>> CA :: 56.3270 CB :: 29.4860 CG :: 34.0520 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 :: 8.3740 HA :: 4.3230 HB2 :: 1.9740 HB3 :: 1.8830 HG2 :: 1.8000 HG3 :: 1.6670 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 :: 120.0680 Ave N Shift Values>> N :: 120.67(3.48) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 K 0.04 F 0.04 Y 0.02 HN Overlap>> 1.V30 1.V30 C Shift Assignments>> C :: 174.5960 CA :: 51.4400 CB :: 41.2260 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 :: 7.9490 HA :: 4.6600 HB2 :: 2.8210 HB3 :: 2.5120 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 :: 120.0680 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.43 A 0.05 HN Overlap>> 1.Q77 1.E85 1.Q77 1.E85 C Shift Assignments>> C :: 173.4290 CA :: 56.2360 CB :: 33.7250 CG :: 31.1160 CE :: 16.4410 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 :: 8.1990 HA :: 4.3980 HB2 :: 1.9570 HB3 :: 1.8780 HG2 :: 2.3960 HG3 :: 2.2920 HE1 :: 1.8390 HE2 :: 1.8390 HE3 :: 1.8390 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 :: 119.1300 Ave N Shift Values>> N :: 120.09(3.57) 1.K108 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 K 0.29 L 0.03 C Shift Assignments>> C :: 174.0700 CA :: 54.5000 CB :: 36.6600 CG :: 24.9200 CD :: 28.5080 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 :: 7.6930 HA :: 4.4440 HB2 :: 1.3610 HB3 :: -0.1460(S) HG2 :: 1.2630 HG3 :: 1.0660 HD2 :: 1.6390 HD3 :: 1.4690 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 :: 119.1300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.42 P 0.21 C 0.19 K 0.09 A 0.05 C Shift Assignments>> C :: 176.1470 CA :: 50.5270 CB :: 24.2680 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1940 HA :: 5.8000(S) 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 :: 117.6460 Ave N Shift Values>> N :: 123.23(3.54) 1.V110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.27 I 0.02 M 0.01 C Shift Assignments>> C :: 173.6340 CA :: 59.9350 CB :: 35.6820 CG1 :: 21.0070 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 :: 9.0840 HA :: 4.6000 HB :: 2.0960 HG11 :: 0.8810 HG12 :: 0.8810 HG13 :: 0.8810 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 :: 116.9820 Ave N Shift Values>> N :: 121.14(4.54) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 K 0.35 C 0.11 R 0.01 C Shift Assignments>> C :: 176.4030 CA :: 54.3630 CB :: 41.5520 CD1 :: 24.5940 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 :: 7.7340 HA :: 4.4000 HB2 :: 2.0590 HB3 :: 2.0590 HD11 :: 0.5970 HD12 :: 0.5970 HD13 :: 0.5970 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 :: 127.2950 Ave N Shift Values>> N :: 121.86(3.9) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 176.7110 CA :: 62.2190 CB :: 37.6390 CG2 :: 17.4190 CD1 :: 12.8540 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 :: 8.1890 HA :: 3.8100 HB :: 1.7260 HG21 :: 0.6370 HG22 :: 0.6370 HG23 :: 0.6370 HD11 :: 0.4730 HD12 :: 0.4730 HD13 :: 0.4730 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 :: 126.0840 Ave N Shift Values>> N :: 121.46(4.28) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.7510 CA :: 45.1990 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3580 HA2 :: 3.7330 HA3 :: 4.0920 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.4270 Ave N Shift Values>> N :: 109.67(3.87) 1.M114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.08 W 0.04 E 0.02 HN Overlap>> 1.E32 1.E32 C Shift Assignments>> C :: 175.8140 CA :: 55.2310 CB :: 33.1140 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 :: 8.2860 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 :: 119.5210 Ave N Shift Values>> N :: 120.09(3.57) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.23 C 0.16 K 0.15 H 0.12 R 0.12 Q 0.07 W 0.07 E 0.04 C Shift Assignments>> CA :: 54.1350 CB :: 32.3130 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 :: 8.2970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.P116 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 107 #Clerical: 0 #Suspicious: 5 #Anomalous: 1 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 116 #Suspicious: 0 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 H Shift Results: #Consistent: 684 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I48 C = 166.4030(A), Expected = 175.85, Std = 1.9200, ChiSquare = 8.6406e-07 1.R52 Typing: Mistyped 1.R52 CG = 33.1990(S), Expected = 27.21, Std = 1.2000, ChiSquare = 6.0119e-07 1.K55 HE2 = 3.6820(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0584e-05 1.Q73 Typing: Mistyped 1.Q73 CG = 28.1810(S), Expected = 33.76, Std = 1.1100, ChiSquare = 5.0049e-07 1.K92 HE2 = 3.8400(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.2847e-06 1.A93 HA = 2.5460(S), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8015e-05 1.M97 Typing: Mistyped 1.M97 CE = 24.5940(S), Expected = 17.07, Std = 1.5800, ChiSquare = 1.9166e-06 1.K108 HB3 = -0.1460(S), Expected = 1.74, Std = 0.2700, ChiSquare = 2.8448e-12 1.A109 HA = 5.8000(S), Expected = 4.26, Std = 0.4400, ChiSquare = 4.6526e-04