Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.3500 CB :: 63.3600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.1800 HB3 :: 4.0100 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.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.47 C 0.4 A 0.11 C Shift Assignments>> CA :: 55.7000 CB :: 31.9400 CG :: 33.2600 CE :: 16.8500 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>> HA :: 4.4900 HB2 :: 2.4900 HB3 :: 2.5800 HG2 :: 2.0200 HG3 :: 2.0700 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) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.18 C 0.1 Y 0.1 F 0.09 L 0.05 C Shift Assignments>> CA :: 53.8600 CB :: 38.8700 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 :: 4.6800 HB3 :: 2.8330 HD21 :: 7.6800 HD22 :: 6.9900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.2800 ND2 :: 113.1400 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I4 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>> CA :: 62.9020 CB :: 38.6990 CG1 :: 28.0700 CG2 :: 17.6700 CD1 :: 13.3000 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 :: 8.2700 HA :: 4.0700 HB :: 1.9400 HG12 :: 1.2600 HG13 :: 1.5300 HG21 :: 0.9700 HG22 :: 0.9700 HG23 :: 0.9700 HD11 :: 0.9100 HD12 :: 0.9100 HD13 :: 0.9100 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 :: 122.2930 Ave N Shift Values>> N :: 121.46(4.28) 1.E5 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>> CA :: 58.7790 CB :: 29.6560 CG :: 36.5000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4000 HA :: 4.1900 HB3 :: 2.1100 HG2 :: 2.3300 HG3 :: 2.3800 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 :: 122.5000 Ave N Shift Values>> N :: 120.67(3.48) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.R198 1.R198 C Shift Assignments>> CA :: 64.6500 CB :: 32.4330 CG1 :: 21.7000 CG2 :: 21.2400 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 :: 7.9610 HA :: 3.8900 HB :: 2.1100 HG11 :: 1.0500 HG12 :: 1.0500 HG13 :: 1.0500 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 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 :: 121.7640 Ave N Shift Values>> N :: 121.14(4.54) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.36 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.7040 CB :: 18.7430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1690 HA :: 4.2200 HB1 :: 1.4800 HB2 :: 1.4800 HB3 :: 1.4800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.5700 Ave N Shift Values>> N :: 123.23(3.54) 1.R8 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.47 R 0.37 G 0.12 K 0.02 HN Overlap>> 1.I24 1.I24 C Shift Assignments>> CA :: 60.0700 CB :: 30.6400 CG :: 27.5000 CD :: 43.6800 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 :: 8.3500 HA :: 3.9000 HB2 :: 1.8700 HB3 :: 1.9900 HG2 :: 1.6000 HG3 :: 1.7400 HD3 :: 3.3000 HE :: 7.4200 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 :: 119.7700 NE :: 77.7900(S) 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.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.34 I 0.05 C 0.03 HN Overlap>> 1.D28 1.E127 1.D28 1.E127 1.S55 1.S55 C Shift Assignments>> CA :: 55.5200 CB :: 18.2400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0600 HA :: 4.0400 HB1 :: 1.5600 HB2 :: 1.5600 HB3 :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.0600 Ave N Shift Values>> N :: 123.23(3.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.04 C 0.03 C Shift Assignments>> CA :: 55.3300 CB :: 18.3090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9600 HA :: 4.1400 HB1 :: 1.5050 HB2 :: 1.5050 HB3 :: 1.5050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5300 Ave N Shift Values>> N :: 123.23(3.54) 1.R11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.44 R 0.43 G 0.07 K 0.04 C Shift Assignments>> CA :: 58.9220 CB :: 30.4050 CG :: 27.5000 CD :: 43.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8450 HA :: 4.0400 HB3 :: 1.8600 HG2 :: 1.6500 HG3 :: 1.8600 HD2 :: 3.0800 HD3 :: 3.2700 HE :: 7.2400 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 :: 119.2620 NE :: 77.7900(S) 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.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.38 C Shift Assignments>> CA :: 57.6750 CB :: 41.4610 CG :: 26.3000 CD1 :: 24.9900 CD2 :: 23.6000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1710 HA :: 3.5000 HB2 :: 0.9700 HB3 :: 1.5000 HG :: 1.3600 HD11 :: 0.6900 HD12 :: 0.6900 HD13 :: 0.6900 HD21 :: 0.6600 HD22 :: 0.6600 HD23 :: 0.6600 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 :: 119.7880 Ave N Shift Values>> N :: 121.86(3.9) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.34 I 0.05 C 0.03 HN Overlap>> 1.N47 1.N47 C Shift Assignments>> CA :: 55.5330 CB :: 18.3090 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7050 HA :: 3.7700 HB1 :: 1.5300 HB2 :: 1.5300 HB3 :: 1.5300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.2910 Ave N Shift Values>> N :: 123.23(3.54) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.26 Q 0.23 R 0.08 E 0.03 M 0.02 I 0.01 C Shift Assignments>> CA :: 59.0480 CB :: 28.4470 CG :: 33.4500 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 :: 7.2680 HA :: 3.9200 HB2 :: 2.1200 HB3 :: 2.1700 HG2 :: 2.4000 HG3 :: 2.5000 HE21 :: 7.6900 HE22 :: 6.8100 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.5400 NE2 :: 112.4000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.F78 1.F78 C Shift Assignments>> CA :: 64.2450 CB :: 37.8700 CG1 :: 28.6000 CG2 :: 17.1700 CD1 :: 14.1000 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.0620 HA :: 3.8300 HB :: 1.7400 HG12 :: 1.1400 HG13 :: 1.5300 HG21 :: 0.8800 HG22 :: 0.8800 HG23 :: 0.8800 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 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 :: 120.3900 Ave N Shift Values>> N :: 121.46(4.28) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 F 0.12 C Shift Assignments>> CA :: 57.2560 CB :: 36.2900 CD1 :: 129.5000 CD2 :: 129.5000 CE1 :: 130.3100 CE2 :: 130.3100 CZ :: 128.3300 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 :: 8.1300 HA :: 4.0300 HB3 :: 2.7200 HD1 :: 6.5500 HD2 :: 6.5500 HE1 :: 7.0100 HE2 :: 7.0100 HZ :: 6.7200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.1390 Ave N Shift Values>> N :: 120.45(4.18) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.42 R 0.1 G 0.01 C Shift Assignments>> CA :: 59.9150 CB :: 32.8540 CG :: 25.0600 CD :: 28.8900 CE :: 42.3600 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 :: 8.6290 HA :: 3.9300 HB2 :: 1.9300 HB3 :: 2.0800 HG3 :: 1.5700 HD2 :: 1.6100 HD3 :: 1.8600 HE3 :: 3.1100 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 :: 120.0560 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.3 I 0.18 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> CA :: 60.0750 CB :: 29.5360 CG :: 36.0000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7460 HA :: 4.1300 HB2 :: 2.1900 HB3 :: 2.3000 HG2 :: 2.3300 HG3 :: 2.5300 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 :: 119.1700 Ave N Shift Values>> N :: 120.67(3.48) 1.I19 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>> CA :: 65.5400 CB :: 38.7300 CG1 :: 28.7000 CG2 :: 17.7100 CD1 :: 13.8500 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 :: 8.3200 HA :: 3.8900 HB :: 2.2000 HG12 :: 0.9400 HG13 :: 2.2400 HG21 :: 1.1900 HG22 :: 1.1900 HG23 :: 1.1900 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9300 Ave N Shift Values>> N :: 121.46(4.28) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.4 C 0.08 C Shift Assignments>> CA :: 64.9380 CB :: 27.4550 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.2000 HA :: 4.0400 HB2 :: 2.9400 HB3 :: 3.2200 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 :: 121.5740 Ave N Shift Values>> N :: 120.17(4.64) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 I 0.08 D 0.08 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.7870 CB :: 40.0700 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 :: 9.5400 HA :: 4.4000 HB2 :: 2.6800 HB3 :: 2.9100 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.5890 Ave N Shift Values>> N :: 120.65(3.86) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 HN Overlap>> 1.G126 1.G126 C Shift Assignments>> CA :: 47.0070 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0110 HA2 :: 3.9200 HA3 :: 4.1400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.9010 Ave N Shift Values>> N :: 109.67(3.87) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.1 C Shift Assignments>> CA :: 61.3540 CB :: 35.8680 CG1 :: 27.2000 CG2 :: 18.2200 CD1 :: 8.6500 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 :: 7.7210 HA :: 4.1400 HB :: 2.6000 HG12 :: 1.4300 HG13 :: 2.2500 HG21 :: 1.0400 HG22 :: 1.0400 HG23 :: 1.0400 HD11 :: 0.8600 HD12 :: 0.8600 HD13 :: 0.8600 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 :: 121.1570 Ave N Shift Values>> N :: 121.46(4.28) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 HN Overlap>> 1.R8 1.R8 C Shift Assignments>> CA :: 66.2380 CB :: 38.7990 CG1 :: 30.4700 CG2 :: 17.1300 CD1 :: 13.9000 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 :: 8.4430 HA :: 3.4700 HB :: 1.9900 HG12 :: 0.8300 HG13 :: 1.9100 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 HD11 :: 0.9030 HD12 :: 0.9030 HD13 :: 0.9030 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8040 Ave N Shift Values>> N :: 121.46(4.28) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.5620 CB :: 64.6950 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9140 HA :: 4.5000 HB2 :: 3.9400 HB3 :: 4.0300 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 :: 110.0490 Ave N Shift Values>> N :: 116.28(3.52) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.69 C 0.3 C Shift Assignments>> CA :: 61.1370 CB :: 38.7520 CD1 :: 132.6300 CD2 :: 132.6300 CE1 :: 117.7700 CE2 :: 117.7700 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 :: 7.2290 HA :: 4.1100 HB2 :: 3.0100 HB3 :: 3.4600 HD1 :: 6.9700 HD2 :: 6.9700 HE1 :: 6.7000 HE2 :: 6.7000 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.6170 Ave N Shift Values>> N :: 120.52(4.2) 1.R27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.5 R 0.22 G 0.21 K 0.05 C Shift Assignments>> CA :: 54.2500 CB :: 34.5870 CG :: 27.2500 CD :: 43.6000 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 :: 7.8950 HA :: 5.1100 HB3 :: 1.5400 HG2 :: 1.3800 HG3 :: 1.6700 HD3 :: 3.0200 HE :: 7.0700 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 :: 127.3760 NE :: 79.0800(S) 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.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.1 N 0.08 R 0.07 C 0.04 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.E127 1.A9 1.S55 1.E127 1.A9 1.S55 C Shift Assignments>> CA :: 52.7310 CB :: 42.1200 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 :: 7.9750 HA :: 4.6460 HB2 :: 2.6900 HB3 :: 3.2900 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 :: 120.1150 Ave N Shift Values>> N :: 120.65(3.86) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 60.6200 CB :: 63.1600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5200 HA :: 4.2700 HB2 :: 3.9600 HB3 :: 4.0600 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 :: 114.4500 Ave N Shift Values>> N :: 116.28(3.52) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H146 1.Q66 1.H146 1.Q66 C Shift Assignments>> CA :: 58.8100 CB :: 63.9600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2400 HA :: 4.6090 HB3 :: 4.0300 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.1300 Ave N Shift Values>> N :: 116.28(3.52) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.25 Q 0.17 R 0.14 E 0.01 I 0.01 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> CA :: 57.4000 CB :: 26.2600 CG :: 33.6900 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 :: 8.3160 HA :: 3.8200 HB3 :: 2.3800 HG2 :: 2.2600 HG3 :: 2.3800 HE21 :: 7.4100 HE22 :: 6.7800 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.2000 NE2 :: 112.6000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.22 K 0.21 M 0.11 E 0.1 R 0.01 C Shift Assignments>> CA :: 55.3870 CB :: 29.8570 CG :: 34.1000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.2400 HA :: 4.4400 HB3 :: 2.0200 HG2 :: 2.2300 HG3 :: 2.3700 HE21 :: 7.6400 HE22 :: 6.8900 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 :: 119.5000 NE2 :: 113.2400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> CA :: 61.0000 CB :: 68.9720 CG2 :: 21.9000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.4970 HA :: 4.6700 HB :: 4.4400 HG21 :: 1.2700 HG22 :: 1.2700 HG23 :: 1.2700 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.1430 Ave N Shift Values>> N :: 115.42(4.75) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.26 L 0.24 G 0.04 C Shift Assignments>> CA :: 57.9880 CB :: 42.9620 CG :: 28.6000 CD1 :: 25.6000 CD2 :: 23.1400 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 :: 7.4760 HA :: 4.0900 HB2 :: 1.4500 HB3 :: 1.7900 HG :: 1.7700 HD11 :: 0.9900 HD12 :: 0.9900 HD13 :: 0.9900 HD21 :: 0.8700 HD22 :: 0.8700 HD23 :: 0.8700 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 :: 126.6040 Ave N Shift Values>> N :: 121.86(3.9) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.06 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.3390 CB :: 19.5930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.9810 HA :: 3.9900 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.8190 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>> M 0.71 I 0.22 A 0.02 C 0.02 C Shift Assignments>> CA :: 57.6160 CB :: 16.3280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3680 HA :: 4.1800 HB1 :: 1.5600 HB2 :: 1.5600 HB3 :: 1.5600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.6070 Ave N Shift Values>> N :: 123.23(3.54) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 65.5600 CB :: 31.4000 CG :: 28.0700 CD :: 50.2200 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 :: 4.6700 HB2 :: 1.6900 HB3 :: 2.3700 HG2 :: 1.8100 HG3 :: 2.0200 HD2 :: 3.6000 HD3 :: 3.7200 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.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.2 R 0.09 A 0.07 G 0.01 C Shift Assignments>> CA :: 53.8000 CB :: 42.1500 CG :: 27.4700 CD1 :: 25.9000 CD2 :: 22.8500 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 :: 8.2860 HA :: 4.5050 HB2 :: 1.6300 HB3 :: 1.8900 HG :: 1.5700 HD11 :: 0.9400 HD12 :: 0.9400 HD13 :: 0.9400 HD21 :: 0.8500 HD22 :: 0.8500 HD23 :: 0.8500 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 :: 114.9000 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>> L 0.49 C 0.45 G 0.03 R 0.01 C Shift Assignments>> CA :: 59.4900 CB :: 42.7400 CG :: 26.6000 CD1 :: 24.5000 CD2 :: 24.2000 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3900 HA :: 3.9200 HB2 :: 1.6700 HB3 :: 1.7300 HG :: 1.8200 HD11 :: 0.9400 HD12 :: 0.9400 HD13 :: 0.9400 HD21 :: 0.8900 HD22 :: 0.8900 HD23 :: 0.8900 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 :: 121.0500 Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.28 R 0.1 N 0.07 K 0.06 C 0.05 G 0.05 F 0.03 Y 0.01 HN Overlap>> 1.Q31 1.Q31 C Shift Assignments>> CA :: 51.6900 CB :: 42.5000 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 :: 8.3200 HA :: 5.3500 HB2 :: 2.4000 HB3 :: 2.5400 HD21 :: 7.7970 HD22 :: 6.9170 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 :: 114.2700 ND2 :: 114.6300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.28 A 0.07 K 0.03 C Shift Assignments>> CA :: 53.3300 CB :: 40.5800 CD1 :: 26.7000 CD2 :: 23.4200 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 :: 9.7200 HA :: 4.1800 HB2 :: 1.4900 HB3 :: 1.5900 HG :: 1.8200 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 HD21 :: 0.8700 HD22 :: 0.8700 HD23 :: 0.8700 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 :: 126.8200 Ave N Shift Values>> N :: 121.86(3.9) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.4 C Shift Assignments>> CA :: 60.8900 CB :: 31.0700 CG :: 26.9700 CD :: 49.6700 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 :: 4.6700 HB2 :: 1.5700 HB3 :: 2.1600 HG2 :: 1.1000 HG3 :: 1.3700 HD2 :: 2.5600 HD3 :: 3.3000 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.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.2500 CB :: 32.0300 CG :: 28.0700 CD :: 50.4900 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 :: 4.4200 HB2 :: 1.8500 HB3 :: 2.3900 HG3 :: 2.0900 HD2 :: 3.5800 HD3 :: 3.9000 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.45 R 0.03 C Shift Assignments>> CA :: 60.1900 CB :: 32.4300 CG :: 24.8500 CD :: 28.9800 CE :: 41.4700 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 :: 8.7200 HA :: 3.8100 HB2 :: 1.2900 HB3 :: 1.5100 HG2 :: 0.8000 HG3 :: 0.9500 HD3 :: 1.2600 HE3 :: 2.5600 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.8200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> CA :: 58.3300 CB :: 32.7100 CG :: 25.3300 CD :: 28.9000 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 :: 8.3300 HA :: 4.1000 HB3 :: 1.8100 HG2 :: 1.4200 HG3 :: 1.4600 HD3 :: 1.6900 HE3 :: 2.9800 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.2000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.42 R 0.06 C Shift Assignments>> CA :: 56.5800 CB :: 34.0500 CG :: 25.1000 CD :: 28.7000 CE :: 41.7000 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 :: 7.3300 HA :: 4.4500 HB2 :: 1.7200 HB3 :: 2.0000 HG2 :: 1.4200 HG3 :: 1.4800 HD3 :: 1.7200 HE3 :: 3.0200 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 :: 115.7000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.22 C 0.07 L 0.06 F 0.05 Y 0.05 HN Overlap>> 1.A13 1.A13 C Shift Assignments>> CA :: 52.5520 CB :: 39.3280 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 :: 7.7500 HA :: 5.1170 HB2 :: 2.5700 HB3 :: 2.8300 HD21 :: 7.8800 HD22 :: 7.1800 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.3500 ND2 :: 113.8300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.35 I 0.06 C 0.05 V 0.01 HN Overlap>> 1.D201 1.C195 1.D201 1.C195 C Shift Assignments>> CA :: 55.8730 CB :: 18.7920 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.3960 HA :: 4.2800 HB1 :: 1.5500 HB2 :: 1.5500 HB3 :: 1.5500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.2620 Ave N Shift Values>> N :: 123.23(3.54) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 F 0.17 L 0.17 Y 0.13 D 0.1 C 0.07 R 0.05 I 0.02 C Shift Assignments>> CA :: 57.2110 CB :: 41.5860 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6510 HA :: 4.3200 HB3 :: 2.8100 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 :: 117.0370 Ave N Shift Values>> N :: 120.65(3.86) 1.Y50 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> CA :: 62.3830 CB :: 38.6190 CD1 :: 132.2000 CD2 :: 132.2000 CE1 :: 116.5500 CE2 :: 116.5500 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 :: 7.6450 HA :: 3.4600 HB2 :: 2.3300 HB3 :: 2.5600 HD1 :: 4.8100(A) HD2 :: 4.8100(A) HE1 :: 5.9600 HE2 :: 5.9600 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.4850 Ave N Shift Values>> N :: 120.52(4.2) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 Y 0.48 C Shift Assignments>> CA :: 60.5650 CB :: 38.1550 CD1 :: 134.2600 CD2 :: 134.2600 CE1 :: 117.3600 CE2 :: 117.3600 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.8640 HA :: 4.0800 HB2 :: 2.7900 HB3 :: 3.3200 HD1 :: 7.4900 HD2 :: 7.4900 HE1 :: 6.6700 HE2 :: 6.6700 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 :: 113.4490 Ave N Shift Values>> N :: 120.52(4.2) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 K 0.07 I 0.06 M 0.05 Q 0.05 C Shift Assignments>> CA :: 58.0380 CB :: 30.0000 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 :: 7.6140 HA :: 4.1800 HB3 :: 2.1200 HG2 :: 2.2200 HG3 :: 2.3900 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 :: 118.9560 Ave N Shift Values>> N :: 120.67(3.48) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.34 R 0.22 C Shift Assignments>> CA :: 57.9070 CB :: 34.4650 CG :: 26.1500 CD :: 29.4600 CE :: 41.9800 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.2630 HA :: 4.1400 HB3 :: 1.7200 HG2 :: 1.4700 HG3 :: 1.5900 HD2 :: 1.6700 HD3 :: 1.7200 HE3 :: 2.9700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.5120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 A 0.06 C Shift Assignments>> CA :: 57.1700 CB :: 34.6500 CG1 :: 24.5100 CG2 :: 16.8800 CD1 :: 9.4700 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 :: 7.9300 HA :: 4.0500 HB :: 1.4100 HG12 :: 0.2600 HG13 :: 0.8000 HG21 :: 0.4200 HG22 :: 0.4200 HG23 :: 0.4200 HD11 :: 0.4970 HD12 :: 0.4970 HD13 :: 0.4970 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 :: 121.0400 Ave N Shift Values>> N :: 121.46(4.28) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D28 1.E127 1.A9 1.D28 1.E127 1.A9 C Shift Assignments>> CA :: 59.7300 CB :: 63.8700 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9980 HA :: 4.3000 HB2 :: 3.8200 HB3 :: 3.9100 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.0800 Ave N Shift Values>> N :: 116.28(3.52) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.3 L 0.15 C 0.06 F 0.04 Y 0.02 K 0.02 HN Overlap>> 1.R202 1.R202 C Shift Assignments>> CA :: 51.4300 CB :: 40.9200 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2230 HA :: 5.0300 HB2 :: 2.4100 HB3 :: 2.8000 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 :: 121.0400 Ave N Shift Values>> N :: 120.65(3.86) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> CA :: 62.8500 CB :: 33.7300 CG :: 26.9700 CD :: 49.9500 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 :: 4.1700 HB2 :: 2.1500 HB3 :: 2.2000 HG2 :: 2.0300 HG3 :: 2.2700 HD2 :: 3.5500 HD3 :: 3.6800 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.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.25 C 0.22 A 0.02 C Shift Assignments>> CA :: 55.7900 CB :: 45.3200 CG :: 26.4000 CD1 :: 26.4300 CD2 :: 22.8500 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 :: 8.9100 HA :: 4.4700 HB2 :: 1.2700 HB3 :: 1.5100 HG :: 1.5900 HD11 :: 0.7700 HD12 :: 0.7700 HD13 :: 0.7700 HD21 :: 0.9700 HD22 :: 0.9700 HD23 :: 0.9700 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 :: 123.2700 Ave N Shift Values>> N :: 121.86(3.9) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 G 0.21 D 0.2 R 0.15 C 0.04 N 0.02 K 0.02 F 0.02 Y 0.01 C Shift Assignments>> CA :: 51.6800 CB :: 43.2700 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 :: 7.3000 HA :: 4.9600 HB2 :: 2.4200 HB3 :: 3.0300 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 :: 120.3000 Ave N Shift Values>> N :: 120.65(3.86) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.26 G 0.12 K 0.06 C Shift Assignments>> CA :: 57.6000 CB :: 43.5000 CD1 :: 27.4700 CD2 :: 23.2280 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 :: 7.9800 HA :: 4.1400 HB2 :: 1.6100 HB3 :: 1.7000 HG :: 1.3800 HD11 :: 0.8500 HD12 :: 0.8500 HD13 :: 0.8500 HD21 :: 0.7800 HD22 :: 0.7800 HD23 :: 0.7800 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 :: 114.8500 Ave N Shift Values>> N :: 121.86(3.9) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.0400 CB :: 63.0000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6800 HA :: 4.2200 HB2 :: 3.8700 HB3 :: 3.9300 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 :: 115.2600 Ave N Shift Values>> N :: 116.28(3.52) 1.T62 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>> CA :: 67.7200 CB :: 67.7000 CG2 :: 20.6800 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 :: 8.5600 HA :: 3.8600 HB :: 4.2200 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 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 :: 120.4400 Ave N Shift Values>> N :: 115.42(4.75) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> CA :: 67.0400 CB :: 38.0600 CG1 :: 28.2200 CG2 :: 16.7400 CD1 :: 15.2800 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 :: 7.3300 HA :: 3.9200 HB :: 2.0000 HG12 :: 1.1500 HG13 :: 1.8300 HG21 :: 1.1500 HG22 :: 1.1500 HG23 :: 1.1500 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 :: 122.6700 Ave N Shift Values>> N :: 121.46(4.28) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.18 Q 0.15 I 0.08 E 0.06 R 0.02 P 0.02 HN Overlap>> 1.K91 1.K91 1.Q66 1.Q66 C Shift Assignments>> CA :: 60.7500 CB :: 28.6600 CG :: 34.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3780 HA :: 4.0400 HB2 :: 2.1500 HB3 :: 2.2800 HG3 :: 2.5000 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 :: 118.2800 Ave N Shift Values>> N :: 120.67(3.48) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.44 R 0.08 C Shift Assignments>> CA :: 59.6200 CB :: 32.6500 CG :: 25.3500 CD :: 29.4300 CE :: 41.8500 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 :: 7.6900 HA :: 4.0100 HB2 :: 1.9400 HB3 :: 2.0100 HG2 :: 1.4900 HG3 :: 1.6900 HD3 :: 1.6950 HE3 :: 2.9400 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.6200 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 C 0.19 R 0.14 W 0.11 Q 0.08 K 0.07 E 0.06 H 0.06 L 0.04 HN Overlap>> 1.K91 1.H146 1.E64 1.K91 1.H146 1.E64 1.Y92 1.S30 1.Y92 1.S30 C Shift Assignments>> CA :: 59.3470 CB :: 27.6000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3400 HA :: 3.9300 HB2 :: 2.2800 HB3 :: 2.3500 HG3 :: 2.4900 HE21 :: 6.6700 HE22 :: 6.2100 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 :: 118.1800 NE2 :: 108.0500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> CA :: 65.9400 CB :: 38.7000 CG1 :: 28.9000 CG2 :: 19.5900 CD1 :: 15.4900 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1900 HA :: 4.3400 HB :: 2.2700 HG13 :: 2.6400(S) HG21 :: 1.1200 HG22 :: 1.1200 HG23 :: 1.1200 HD11 :: 0.9500 HD12 :: 0.9500 HD13 :: 0.9500 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 :: 122.0200 Ave N Shift Values>> N :: 121.46(4.28) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.37 R 0.06 G 0.01 HN Overlap>> 1.S97 1.S97 C Shift Assignments>> CA :: 57.4950 CB :: 42.4000 CG :: 26.9700 CD1 :: 25.2300 CD2 :: 22.6800 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 :: 7.4010 HA :: 4.1500 HB2 :: 1.7200 HB3 :: 1.9900 HG :: 1.9500 HD11 :: 0.9900 HD12 :: 0.9900 HD13 :: 0.9900 HD21 :: 0.9500 HD22 :: 0.9500 HD23 :: 0.9500 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 :: 116.7700 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.1500 CB :: 38.4900 CG1 :: 27.2500 CG2 :: 17.5000 CD1 :: 13.9800 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 :: 7.4060 HA :: 4.5900 HB :: 2.2700 HG12 :: 1.4500 HG13 :: 1.6100 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 HD11 :: 0.9200 HD12 :: 0.9200 HD13 :: 0.9200 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 :: 110.7400 Ave N Shift Values>> N :: 121.46(4.28) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> CA :: 46.7400 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9800 HA2 :: 3.9500 HA3 :: 4.0600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.4100 Ave N Shift Values>> N :: 109.67(3.87) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.23 C Shift Assignments>> CA :: 60.6750 CB :: 41.3930 CD1 :: 132.6000 CD2 :: 132.6000 CE1 :: 118.2000 CE2 :: 118.2000 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8500 HA :: 3.9400 HB2 :: 2.2200 HB3 :: 2.7700 HD1 :: 5.9500 HD2 :: 5.9500 HE1 :: 6.6100 HE2 :: 6.6100 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.9300 Ave N Shift Values>> N :: 120.52(4.2) 1.Y72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 58.4160 CB :: 38.6600 CD1 :: 133.0000 CD2 :: 133.0000 CE1 :: 118.5300 CE2 :: 118.5300 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 :: 8.1960 HA :: 4.3700 HB2 :: 2.9300 HB3 :: 3.2500 HD1 :: 7.1300 HD2 :: 7.1300 HE1 :: 7.1700 HE2 :: 7.1700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.7390 Ave N Shift Values>> N :: 120.52(4.2) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 C Shift Assignments>> CA :: 56.6370 CB :: 33.2880 CG :: 25.4700 CD :: 28.5000 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.8410 HA :: 4.3100 HB2 :: 1.8000 HB3 :: 2.0700 HG2 :: 1.4500 HG3 :: 1.4900 HD2 :: 1.6100 HD3 :: 1.6800 HE3 :: 2.9500 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.8610 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 T 0.35 A 0.02 C Shift Assignments>> CA :: 58.2710 CB :: 72.6550 CG2 :: 22.0500 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 :: 7.4850 HA :: 4.7700 HB :: 4.8000 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 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 :: 128.0500 Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> CA :: 64.8770 CB :: 32.0990 CG1 :: 23.1400 CG2 :: 20.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.2730 HA :: 4.1100 HB :: 2.1400 HG11 :: 1.2200 HG12 :: 1.2200 HG13 :: 1.2200 HG21 :: 1.1100 HG22 :: 1.1100 HG23 :: 1.1100 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 :: 121.2100 Ave N Shift Values>> N :: 121.14(4.54) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.35 E 0.16 K 0.02 C Shift Assignments>> CA :: 60.9330 CB :: 28.6810 CG :: 36.8000 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 :: 9.0440 HA :: 4.1400 HB2 :: 1.9800 HB3 :: 2.1600 HG2 :: 2.3600 HG3 :: 2.5300 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 :: 120.9850 Ave N Shift Values>> N :: 120.67(3.48) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.24 C 0.06 L 0.03 V 0.01 I 0.01 C Shift Assignments>> CA :: 55.0330 CB :: 19.6330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8320 HA :: 4.2000 HB1 :: 1.6900 HB2 :: 1.6900 HB3 :: 1.6900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.5180 Ave N Shift Values>> N :: 123.23(3.54) 1.F78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.68 C 0.31 HN Overlap>> 1.I15 1.I15 C Shift Assignments>> CA :: 60.6430 CB :: 39.0100 CD1 :: 131.6000 CD2 :: 131.6000 CE1 :: 130.8000 CE2 :: 130.8000 CZ :: 128.5000 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 :: 6.9860 HA :: 3.5800 HB2 :: 1.7700(S) HB3 :: 2.2300 HD1 :: 6.0700 HD2 :: 6.0700 HE1 :: 6.9900 HE2 :: 6.9900 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 :: 120.4390 Ave N Shift Values>> N :: 120.45(4.18) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.17 L 0.17 Y 0.16 D 0.12 C 0.08 I 0.02 R 0.02 N 0.01 C Shift Assignments>> CA :: 57.0870 CB :: 41.1700 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 :: 8.7740 HA :: 4.0500 HB2 :: 2.5900 HB3 :: 2.7100 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 :: 118.6890 Ave N Shift Values>> N :: 120.65(3.86) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.36 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.2830 CB :: 18.0710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8490 HA :: 3.9300 HB1 :: 1.4800 HB2 :: 1.4800 HB3 :: 1.4800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.2740 Ave N Shift Values>> N :: 123.23(3.54) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.27 C 0.14 D 0.09 L 0.07 I 0.07 N 0.03 C Shift Assignments>> CA :: 57.2140 CB :: 39.4970 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 :: 7.1050 HA :: 4.3900 HB2 :: 2.3600 HB3 :: 2.6500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.8630 Ave N Shift Values>> N :: 120.65(3.86) 1.M82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 M 0.18 I 0.14 A 0.01 HN Overlap>> 1.E123 1.E123 C Shift Assignments>> CA :: 56.8050 CB :: 29.1260 CE :: 15.2000 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 :: 7.6550 HA :: 3.3980 HB2 :: 0.4800(S) HB3 :: 1.1600 HG2 :: 1.0600(S) HG3 :: 1.3500 HE1 :: 1.6400 HE2 :: 1.6400 HE3 :: 1.6400 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 :: 119.3330 Ave N Shift Values>> N :: 120.09(3.57) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 C Shift Assignments>> CA :: 57.6310 CB :: 40.7720 CG :: 27.2500 CD1 :: 25.6000 CD2 :: 22.4000 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 :: 8.2120 HA :: 3.8700 HB2 :: 1.3800 HB3 :: 1.8200 HG :: 1.8600 HD11 :: 0.9800 HD12 :: 0.9800 HD13 :: 0.9800 HD21 :: 0.9490 HD22 :: 0.9490 HD23 :: 0.9490 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 :: 113.6820 Ave N Shift Values>> N :: 121.86(3.9) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.41 R 0.01 C Shift Assignments>> CA :: 60.1840 CB :: 32.2200 CG :: 24.2400 CD :: 29.7600 CE :: 41.4000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6400 HA :: 3.9100 HB2 :: 1.9300 HB3 :: 2.1000 HG2 :: 1.3000 HG3 :: 1.5100 HD2 :: 1.7200 HD3 :: 1.8400 HE3 :: 2.8200 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.9020 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 67.1440 CB :: 30.9040 CG1 :: 23.3500 CG2 :: 21.7700 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.4070 HA :: 3.4300 HB :: 1.8700 HG11 :: 0.7500 HG12 :: 0.7500 HG13 :: 0.7500 HG21 :: 0.7800 HG22 :: 0.7800 HG23 :: 0.7800 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 :: 119.0990 Ave N Shift Values>> N :: 121.14(4.54) 1.F86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> CA :: 58.8230 CB :: 39.0400 CD1 :: 130.4000 CD2 :: 130.4000 CE1 :: 129.7000 CE2 :: 129.7000 CZ :: 128.3000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.0090 HA :: 4.4800 HB2 :: 3.0000 HB3 :: 3.1400 HD1 :: 6.9100 HD2 :: 6.9100 HE1 :: 6.6900 HE2 :: 6.6900 HZ :: 6.7100 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 :: 116.6310 Ave N Shift Values>> N :: 120.45(4.18) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.11 H 0.09 Q 0.06 V 0.06 K 0.05 I 0.04 M 0.03 C Shift Assignments>> CA :: 59.5380 CB :: 30.5500 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 :: 8.6800 HA :: 4.0400 HB2 :: 1.9200 HB3 :: 2.0300 HG2 :: 1.6300 HG3 :: 1.7500 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 :: 120.3040 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.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.18 C 0.17 F 0.14 D 0.09 E 0.05 L 0.03 M 0.02 I 0.02 C Shift Assignments>> CA :: 55.2310 CB :: 38.1360 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 :: 8.9050 HA :: 4.3700 HB2 :: 2.5800 HB3 :: 3.0600 HD21 :: 7.7600 HD22 :: 6.5900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.8150 ND2 :: 111.6600 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.2 C 0.09 L 0.07 V 0.04 I 0.01 T 0.01 C Shift Assignments>> CA :: 55.4300 CB :: 20.0290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3910 HA :: 4.6400 HB1 :: 1.7500 HB2 :: 1.7500 HB3 :: 1.7500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.8490 Ave N Shift Values>> N :: 123.23(3.54) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.24 I 0.22 M 0.01 K 0.01 HN Overlap>> 1.S138 1.S138 C Shift Assignments>> CA :: 60.5210 CB :: 30.4070 CG :: 37.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3160 HA :: 3.7000 HB2 :: 2.0600 HB3 :: 2.3200 HG2 :: 2.1700 HG3 :: 2.3200 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 :: 118.5900 Ave N Shift Values>> N :: 120.67(3.48) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.07 HN Overlap>> 1.E64 1.Q66 1.E64 1.Q66 C Shift Assignments>> CA :: 59.0210 CB :: 32.6500 CG :: 25.0600 CD :: 29.4300 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 :: 8.2730 HA :: 4.0300 HB3 :: 1.9200 HG2 :: 1.3100 HG3 :: 1.4900 HD2 :: 1.6700 HD3 :: 1.7200 HE3 :: 2.9700 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 :: 118.2590 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.73 C 0.26 HN Overlap>> 1.H146 1.Q66 1.H146 1.Q66 C Shift Assignments>> CA :: 62.2690 CB :: 39.3210 CD1 :: 132.3000 CD2 :: 132.3000 CE1 :: 117.7700 CE2 :: 117.7700 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 :: 8.3650 HA :: 3.9700 HB2 :: 2.4900 HB3 :: 2.7300 HD1 :: 5.8800(S) HD2 :: 5.8800(S) HE1 :: 6.5700 HE2 :: 6.5700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.1030 Ave N Shift Values>> N :: 120.52(4.2) 1.Y93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 61.1050 CB :: 38.3240 CD1 :: 134.0000 CD2 :: 134.0000 CE1 :: 117.9700 CE2 :: 117.9700 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 :: 8.7070 HA :: 4.1300 HB2 :: 2.6700 HB3 :: 3.3400 HD1 :: 7.5800 HD2 :: 7.5800 HE1 :: 7.0700 HE2 :: 7.0700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.7700 Ave N Shift Values>> N :: 120.52(4.2) 1.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.7500 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5400 HA2 :: 3.8600 HA3 :: 4.5400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.0600 Ave N Shift Values>> N :: 109.67(3.87) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.16 V 0.11 E 0.1 R 0.1 H 0.08 K 0.06 Q 0.04 M 0.04 I 0.03 P 0.01 C Shift Assignments>> CA :: 59.9900 CB :: 30.9300 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 :: 8.8700 HA :: 4.2300 HB2 :: 1.5800 HB3 :: 1.8200 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 :: 124.0100 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.K96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.35 R 0.16 HN Overlap>> 1.S130 1.S130 C Shift Assignments>> CA :: 55.5800 CB :: 31.6800 CG :: 25.4200 CD :: 29.2000 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.4500 HA :: 4.3900 HB2 :: 1.7500 HB3 :: 1.9700 HG2 :: 1.3700 HG3 :: 1.4700 HD3 :: 1.7040 HE3 :: 2.9900 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 :: 115.1500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L68 1.L68 C Shift Assignments>> CA :: 57.4700 CB :: 63.8200 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.4480 HA :: 4.7000 HB3 :: 4.0400 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 :: 116.8100 Ave N Shift Values>> N :: 116.28(3.52) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> CA :: 66.8200 CB :: 32.3900 CD :: 50.4900 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 :: 4.1600 HB2 :: 2.0000 HB3 :: 2.4400 HG3 :: 2.2300 HD3 :: 3.8790 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.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.H189 1.H189 C Shift Assignments>> CA :: 65.2300 CB :: 37.8400 CG1 :: 29.9800 CG2 :: 17.0700 CD1 :: 12.4800 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1800 HA :: 3.7300 HB :: 1.2470 HG12 :: 0.8900 HG13 :: 1.5000 HG21 :: 0.3530 HG22 :: 0.3530 HG23 :: 0.3530 HD11 :: 0.3600 HD12 :: 0.3600 HD13 :: 0.3600 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.2800 Ave N Shift Values>> N :: 121.46(4.28) 1.G100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.1 P 0.06 A 0.05 L 0.03 N 0.01 C Shift Assignments>> CA :: 47.6910 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2200 HA2 :: 3.3700 HA3 :: 4.4100 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.3000 Ave N Shift Values>> N :: 109.67(3.87) 1.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.12 R 0.09 H 0.09 I 0.07 Q 0.07 K 0.06 V 0.05 M 0.02 C Shift Assignments>> CA :: 59.8410 CB :: 30.0810 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 :: 8.6180 HA :: 4.0900 HB2 :: 1.8600 HB3 :: 1.9900 HG3 :: 1.6460 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.7780 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.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 L 0.08 I 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> CA :: 57.8870 CB :: 40.1460 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 :: 7.8610 HA :: 4.4100 HB2 :: 2.4000 HB3 :: 3.1500 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 :: 123.6460 Ave N Shift Values>> N :: 120.65(3.86) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> CA :: 67.4790 CB :: 30.9450 CG1 :: 24.6500 CG2 :: 22.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0490 HA :: 3.3200 HB :: 2.3930 HG11 :: 1.1500 HG12 :: 1.1500 HG13 :: 1.1500 HG21 :: 1.0900 HG22 :: 1.0900 HG23 :: 1.0900 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 :: 121.3840 Ave N Shift Values>> N :: 121.14(4.54) 1.C104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.36 C 0.11 C Shift Assignments>> CA :: 63.6010 CB :: 26.3960 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.9850 HA :: 3.9300 HB2 :: 2.9700 HB3 :: 3.2100 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 :: 118.7170 Ave N Shift Values>> N :: 120.17(4.64) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.38 G 0.11 K 0.02 C Shift Assignments>> CA :: 59.6640 CB :: 30.1120 CG :: 27.7600 CD :: 43.6600 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 :: 7.4800 HA :: 4.0200 HB2 :: 1.9100 HB3 :: 2.0100 HG2 :: 1.6300 HG3 :: 1.8200 HD3 :: 3.3000 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 :: 119.6750 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.L106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 R 0.04 G 0.03 HN Overlap>> 1.E203 1.E203 1.L159 1.E136 1.L159 1.E136 C Shift Assignments>> CA :: 57.1890 CB :: 42.7980 CG :: 25.9700 CD1 :: 25.6000 CD2 :: 23.7500 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 :: 8.3690 HA :: 3.6000 HB2 :: 1.1250 HB3 :: 1.6000 HG :: 1.6090 HD11 :: 0.7260 HD12 :: 0.7260 HD13 :: 0.7260 HD21 :: 0.7910 HD22 :: 0.7910 HD23 :: 0.7910 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 :: 122.2380 Ave N Shift Values>> N :: 121.86(3.9) 1.R107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.25 G 0.13 K 0.04 C Shift Assignments>> CA :: 59.5500 CB :: 29.7350 CG :: 29.0000 CD :: 43.6500 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 :: 8.3800 HA :: 3.1100 HB2 :: 1.0400 HB3 :: 1.6990 HG2 :: 1.1700 HG3 :: 1.3700 HD2 :: 3.1100 HD3 :: 3.3200 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 :: 120.4360 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.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.42 R 0.09 C Shift Assignments>> CA :: 60.0800 CB :: 32.3300 CG :: 25.5000 CD :: 29.3800 CE :: 42.0000 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.3130 HA :: 4.0800 HB2 :: 1.6600 HB3 :: 1.9180 HG2 :: 1.6700 HG3 :: 1.4800 HD3 :: 1.7000 HE3 :: 2.9700 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.9910 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.26 I 0.04 C 0.01 C Shift Assignments>> CA :: 55.2640 CB :: 17.2730 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.7140 HA :: 4.1300 HB1 :: 1.1900 HB2 :: 1.1900 HB3 :: 1.1900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2630 Ave N Shift Values>> N :: 123.23(3.54) 1.Y110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 HN Overlap>> 1.E147 1.E147 C Shift Assignments>> CA :: 62.3000 CB :: 38.1200 CD1 :: 132.1400 CD2 :: 132.1400 CE1 :: 118.0000 CE2 :: 118.0000 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 :: 8.7500 HA :: 4.0200 HB2 :: 3.0300 HB3 :: 3.2300 HD1 :: 6.6600 HD2 :: 6.6600 HE1 :: 6.5400 HE2 :: 6.5400 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 :: 122.3000 Ave N Shift Values>> N :: 120.52(4.2) 1.Y111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> CA :: 61.1200 CB :: 37.2800 CD1 :: 132.4000 CD2 :: 132.4000 CE1 :: 117.7700 CE2 :: 117.7700 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 :: 8.5780 HA :: 4.0500 HB3 :: 3.1100 HD1 :: 7.1700 HD2 :: 7.1700 HE1 :: 6.8400 HE2 :: 6.8400 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.6600 Ave N Shift Values>> N :: 120.52(4.2) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.1000 CB :: 62.5000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1680 HA :: 4.3500 HB3 :: 4.0400 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 :: 115.4600 Ave N Shift Values>> N :: 116.28(3.52) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.31 C 0.06 I 0.02 L 0.02 V 0.01 C Shift Assignments>> CA :: 55.2600 CB :: 19.3800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2530 HA :: 4.2100 HB1 :: 1.5500 HB2 :: 1.5500 HB3 :: 1.5500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.0500 Ave N Shift Values>> N :: 123.23(3.54) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.34 I 0.15 R 0.04 L 0.03 C Shift Assignments>> C :: 180.2200 CA :: 58.7500 CB :: 29.1800 CD :: 41.2200 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 :: 8.8800 HA :: 3.7200 HB2 :: 1.5600 HB3 :: 1.6400 HG2 :: 1.1700 HG3 :: 1.3100 HD2 :: 2.9300 HD3 :: 3.1500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.2500 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.H115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.36 H 0.25 HN Overlap>> 1.D133 1.D133 C Shift Assignments>> CA :: 59.2000 CB :: 28.4100 CD2 :: 120.0000 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 :: 8.2800 HA :: 4.5000 HB2 :: 3.3900 HB3 :: 3.5100 HD2 :: 7.3400 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 :: 119.3900 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.13 K 0.08 Q 0.04 M 0.02 HN Overlap>> 1.D150 1.D150 C Shift Assignments>> CA :: 59.2400 CB :: 29.5200 CG :: 36.0800 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 :: 8.3200 HA :: 4.0400 HB3 :: 2.1700 HG2 :: 1.6500 HG3 :: 2.4700 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 :: 120.6400 Ave N Shift Values>> N :: 120.67(3.48) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.8300 CB :: 19.5600 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5900 HA :: 4.5900 HB1 :: 1.4800 HB2 :: 1.4800 HB3 :: 1.4800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.5400 Ave N Shift Values>> N :: 123.23(3.54) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.9000 CB :: 63.7000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.5200 HA :: 4.4500 HB3 :: 3.9400 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 :: 114.9700 Ave N Shift Values>> N :: 116.28(3.52) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.3 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.5700 CB :: 18.0400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2920 HA :: 4.2100 HB1 :: 1.4400 HB2 :: 1.4400 HB3 :: 1.4400 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9300 Ave N Shift Values>> N :: 123.23(3.54) 1.Q120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.21 Q 0.19 K 0.17 M 0.04 I 0.04 C Shift Assignments>> CA :: 58.8700 CB :: 29.6300 CG :: 34.8000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8500 HA :: 4.1500 HB2 :: 2.0600 HB3 :: 2.1700 HG2 :: 2.3800 HG3 :: 2.4400 HE21 :: 7.4740 HE22 :: 6.9690 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 :: 118.0000 NE2 :: 111.7000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 C 0.06 C Shift Assignments>> CA :: 65.9400 CB :: 38.4000 CG1 :: 27.5000 CG2 :: 17.5600 CD1 :: 13.9200 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 :: 8.1400 HA :: 3.4900 HB :: 1.9900 HG12 :: 1.4500 HG13 :: 1.8800 HG21 :: 0.9800 HG22 :: 0.9800 HG23 :: 0.9800 HD11 :: 0.8700 HD12 :: 0.8700 HD13 :: 0.8700 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 :: 120.3200 Ave N Shift Values>> N :: 121.46(4.28) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.13 D 0.11 C 0.11 K 0.06 I 0.05 N 0.02 C Shift Assignments>> CA :: 57.3300 CB :: 40.5200 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 :: 8.5700 HA :: 4.4200 HB2 :: 2.6300 HB3 :: 2.7700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.4200 Ave N Shift Values>> N :: 120.65(3.86) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 Q 0.12 K 0.1 M 0.07 I 0.04 HN Overlap>> 1.M82 1.M82 C Shift Assignments>> CA :: 58.5300 CB :: 30.1100 CG :: 35.4500 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 :: 7.6200 HA :: 4.1300 HB3 :: 2.1300 HG3 :: 2.4100 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 :: 119.3400 Ave N Shift Values>> N :: 120.67(3.48) 1.I124 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>> CA :: 64.1700 CB :: 39.0800 CG1 :: 28.9900 CG2 :: 18.8200 CD1 :: 14.9400 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 :: 7.7100 HA :: 3.7400 HB :: 1.9300 HG12 :: 0.9500 HG13 :: 1.8400 HG21 :: 0.8500 HG22 :: 0.8500 HG23 :: 0.8500 HD11 :: 0.7300 HD12 :: 0.7300 HD13 :: 0.7300 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.4500 Ave N Shift Values>> N :: 121.46(4.28) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> CA :: 64.6000 CB :: 32.6100 CG1 :: 21.6900 CG2 :: 21.7500 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 :: 8.4400 HA :: 3.8500 HB :: 2.2800 HG11 :: 1.0100 HG12 :: 1.0100 HG13 :: 1.0100 HG21 :: 1.0900 HG22 :: 1.0900 HG23 :: 1.0900 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 :: 117.1600 Ave N Shift Values>> N :: 121.14(4.54) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.G22 1.G22 C Shift Assignments>> CA :: 46.6000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0000 HA3 :: 3.9800 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.8000 Ave N Shift Values>> N :: 109.67(3.87) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.09 Q 0.09 M 0.08 I 0.02 HN Overlap>> 1.D28 1.D28 1.A9 1.S55 1.A9 1.S55 C Shift Assignments>> CA :: 56.5090 CB :: 29.9670 CG :: 36.0000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0400 HA :: 4.3400 HB2 :: 2.0100 HB3 :: 2.0800 HG2 :: 2.2800 HG3 :: 2.3900 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 :: 120.0580 Ave N Shift Values>> N :: 120.67(3.48) 1.T128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 HN Overlap>> 1.T137 1.T137 C Shift Assignments>> CA :: 61.9300 CB :: 69.7500 CG2 :: 21.7200 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 :: 8.1360 HA :: 4.3600 HB :: 4.2400 HG21 :: 1.2200 HG22 :: 1.2200 HG23 :: 1.2200 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 :: 114.4900 Ave N Shift Values>> N :: 115.42(4.75) 1.A129 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>> CA :: 52.5000 CB :: 18.9900 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2940 HA :: 4.3700 HB1 :: 1.4300 HB2 :: 1.4300 HB3 :: 1.4300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.5600 Ave N Shift Values>> N :: 123.23(3.54) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K96 1.K96 C Shift Assignments>> CA :: 58.3190 CB :: 63.5980 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3540 HA :: 4.4300 HB3 :: 3.8800 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.1910 Ave N Shift Values>> N :: 116.28(3.52) 1.E131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.3 K 0.12 Q 0.09 M 0.04 I 0.03 C Shift Assignments>> CA :: 56.3620 CB :: 29.5160 CG :: 36.0100 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 :: 8.4500 HA :: 4.3000 HB2 :: 1.9500 HB3 :: 2.0900 HG3 :: 2.2800 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 :: 122.8160 Ave N Shift Values>> N :: 120.67(3.48) 1.A132 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>> CA :: 52.4920 CB :: 18.9780 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2950 HA :: 4.2800 HB1 :: 1.3800 HB2 :: 1.3800 HB3 :: 1.3800 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.4960 Ave N Shift Values>> N :: 123.23(3.54) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.1 Y 0.08 K 0.06 C 0.06 HN Overlap>> 1.H115 1.H115 C Shift Assignments>> CA :: 54.2440 CB :: 40.8160 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 :: 8.2610 HA :: 4.6000 HB3 :: 2.6700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.3780 Ave N Shift Values>> N :: 120.65(3.86) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.3200 CB :: 63.5600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2500 HA :: 4.4700 HB2 :: 3.8700 HB3 :: 3.9400 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 :: 116.4790 Ave N Shift Values>> N :: 116.28(3.52) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.7880 CB :: 63.5250 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.4300 HA :: 4.4300 HB3 :: 3.9060 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 :: 117.8560 Ave N Shift Values>> N :: 116.28(3.52) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.09 K 0.06 Q 0.06 I 0.02 HN Overlap>> 1.E203 1.L106 1.L159 1.E203 1.L106 1.L159 C Shift Assignments>> CA :: 56.6000 CB :: 30.2000 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 :: 8.3770 HA :: 4.3500 HB2 :: 1.9600 HB3 :: 2.0800 HG3 :: 2.2900 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 :: 122.2400 Ave N Shift Values>> N :: 120.67(3.48) 1.T137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.T128 1.T128 C Shift Assignments>> CA :: 62.2000 CB :: 69.3000 CG2 :: 21.5000 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1300 HA :: 4.3500 HB :: 4.2200 HG21 :: 1.2060 HG22 :: 1.2060 HG23 :: 1.2060 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 :: 114.5000 Ave N Shift Values>> N :: 115.42(4.75) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E90 1.S140 1.E90 1.S140 C Shift Assignments>> CA :: 58.2430 CB :: 63.6390 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3170 HA :: 4.4900 HB3 :: 3.8700 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.6000 Ave N Shift Values>> N :: 116.28(3.52) 1.V139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 HN Overlap>> 1.K142 1.K142 C Shift Assignments>> CA :: 62.2450 CB :: 32.5800 CG1 :: 20.2000 CG2 :: 20.9600 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1700 HA :: 4.1400 HB :: 2.1000 HG11 :: 0.9300 HG12 :: 0.9300 HG13 :: 0.9300 HG21 :: 0.9300 HG22 :: 0.9300 HG23 :: 0.9300 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 :: 121.4750 Ave N Shift Values>> N :: 121.14(4.54) 1.S140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S138 1.S138 C Shift Assignments>> CA :: 58.7770 CB :: 63.5890 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3100 HA :: 4.4200 HB3 :: 3.8600 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.7120 Ave N Shift Values>> N :: 116.28(3.52) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.14 E 0.13 W 0.13 K 0.13 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> CA :: 56.4980 CB :: 29.4910 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 :: 8.4360 HA :: 4.2700 HB2 :: 1.9500 HB3 :: 2.0500 HG3 :: 2.2600 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 :: 123.2000 Ave N Shift Values>> N :: 120.67(3.48) 1.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.46 HN Overlap>> 1.D149 1.V139 1.D149 1.V139 C Shift Assignments>> CA :: 56.4230 CB :: 32.6030 CG :: 25.0100 CD :: 28.9000 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 :: 8.2300 HA :: 4.2700 HB2 :: 1.7600 HB3 :: 1.8100 HG3 :: 1.4100 HD3 :: 1.6600 HE3 :: 2.9700 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 :: 121.4810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.31 K 0.11 Q 0.08 M 0.05 I 0.03 C Shift Assignments>> CA :: 56.3710 CB :: 29.6300 CG :: 36.1000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3800 HA :: 4.2900 HB2 :: 1.9500 HB3 :: 2.0800 HG3 :: 2.2730 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 :: 121.4070 Ave N Shift Values>> N :: 120.67(3.48) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.6840 CB :: 63.6800 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3730 HA :: 4.4000 HB3 :: 3.8500 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 :: 117.0300 Ave N Shift Values>> N :: 116.28(3.52) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.G164 1.G164 C Shift Assignments>> CA :: 45.1670 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4830 HA3 :: 3.9390 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5370 Ave N Shift Values>> N :: 109.67(3.87) 1.H146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 W 0.34 C 0.25 HN Overlap>> 1.Q66 1.Y92 1.S30 1.Q66 1.Y92 1.S30 C Shift Assignments>> CA :: 55.1000 CB :: 28.8540 CD2 :: 120.0000 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 :: 8.3100 HA :: 4.7100 HB2 :: 3.0800 HB3 :: 3.2700 HD2 :: 7.2100 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 :: 118.1500 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 K 0.1 Q 0.06 I 0.05 M 0.03 HN Overlap>> 1.Y110 1.Y110 C Shift Assignments>> CA :: 57.0200 CB :: 29.4590 CG :: 36.2700 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 :: 8.7000 HA :: 4.2200 HB2 :: 1.9300 HB3 :: 2.0300 HG3 :: 2.2690 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 :: 122.3690 Ave N Shift Values>> N :: 120.67(3.48) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 HN Overlap>> 1.L165 1.L165 C Shift Assignments>> CA :: 56.2500 CB :: 32.5000 CG :: 24.5000 CD :: 28.8000 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 :: 8.3750 HA :: 4.3300 HB2 :: 1.7270 HB3 :: 1.8300 HG3 :: 1.3800 HD3 :: 1.6300 HE3 :: 2.9600 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 :: 121.1100 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.19 N 0.14 F 0.11 Y 0.09 C 0.06 K 0.05 HN Overlap>> 1.K142 1.K142 C Shift Assignments>> CA :: 54.4700 CB :: 40.6500 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 :: 8.2580 HA :: 4.5900 HB2 :: 2.6100 HB3 :: 2.7400 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 :: 121.4000 Ave N Shift Values>> N :: 120.65(3.86) 1.D150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.22 K 0.1 N 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.E116 1.E116 C Shift Assignments>> CA :: 54.2600 CB :: 41.1710 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 :: 8.2970 HA :: 4.6900 HB2 :: 2.6000 HB3 :: 2.7000 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 :: 120.6400 Ave N Shift Values>> N :: 120.65(3.86) 1.D151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.25 K 0.14 F 0.08 N 0.07 Y 0.05 C 0.05 R 0.03 C Shift Assignments>> CA :: 54.2870 CB :: 41.5500 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 :: 8.2590 HA :: 4.7500 HB2 :: 2.5200 HB3 :: 2.5900 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 :: 120.2400 Ave N Shift Values>> N :: 120.65(3.86) 1.V152 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>> CA :: 62.4830 CB :: 32.8440 CG1 :: 21.7800 CG2 :: 21.5000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.0400 HA :: 4.1000 HB :: 2.1700 HG11 :: 0.9600 HG12 :: 0.9600 HG13 :: 0.9600 HG21 :: 1.0200 HG22 :: 1.0200 HG23 :: 1.0200 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.8320 Ave N Shift Values>> N :: 121.14(4.54) 1.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 HN Overlap>> 1.I156 1.I156 C Shift Assignments>> CA :: 60.4410 CB :: 38.7500 CG1 :: 27.7900 CG2 :: 16.3900 CD1 :: 13.4600 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 :: 8.1020 HA :: 4.4900 HB :: 1.4900 HG13 :: 1.5260 HG21 :: 0.7100 HG22 :: 0.7100 HG23 :: 0.7100 HD11 :: 0.5500 HD12 :: 0.5500 HD13 :: 0.5500 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 :: 126.7300 Ave N Shift Values>> N :: 121.46(4.28) 1.R154 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.28 K 0.28 R 0.27 L 0.14 G 0.01 C Shift Assignments>> CA :: 56.3730 CB :: 28.7500 CG :: 26.4000 CD :: 42.4000 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7100 HA :: 4.1800 HB3 :: 2.0300 HG2 :: 1.3800 HG3 :: 1.6800 HD2 :: 3.0700 HD3 :: 3.2800 HE :: 7.4500 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.8600 NE :: 98.6000(S) 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.C155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.16 E 0.14 R 0.13 H 0.12 Q 0.08 K 0.06 M 0.05 V 0.03 I 0.02 HN Overlap>> 1.C169 1.C169 C Shift Assignments>> CA :: 58.5960 CB :: 30.6240 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8490 HA :: 4.6800 HB2 :: 2.4700 HB3 :: 3.3000 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 :: 127.2300 Ave N Shift Values>> N :: 120.17(4.64) 1.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 HN Overlap>> 1.I153 1.I153 C Shift Assignments>> CA :: 64.1990 CB :: 38.3000 CG1 :: 26.8300 CG2 :: 18.2200 CD1 :: 14.6700 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0600 HA :: 4.1600 HB :: 2.0500 HG12 :: 1.4400 HG13 :: 1.5300 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 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 :: 126.7820 Ave N Shift Values>> N :: 121.46(4.28) 1.C157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.13 E 0.12 H 0.12 K 0.09 M 0.08 Q 0.07 V 0.03 I 0.01 C Shift Assignments>> CA :: 58.2590 CB :: 31.0620 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.5500 HA :: 4.5000 HB2 :: 3.1300 HB3 :: 3.4300 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 :: 119.2020 Ave N Shift Values>> N :: 120.17(4.64) 1.G158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.8720 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.5600 HA2 :: 3.8100 HA3 :: 4.0400 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3610 Ave N Shift Values>> N :: 109.67(3.87) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 A 0.05 G 0.05 R 0.03 HN Overlap>> 1.E203 1.L106 1.E203 1.L106 1.E136 1.E136 C Shift Assignments>> CA :: 53.7450 CB :: 42.9260 CG :: 26.8000 CD1 :: 25.0600 CD2 :: 23.1400 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 :: 8.4640 HA :: 4.5700 HB2 :: 1.4700 HB3 :: 2.0270 HG :: 1.5600 HD11 :: 0.8900 HD12 :: 0.8900 HD13 :: 0.8900 HD21 :: 0.8500 HD22 :: 0.8500 HD23 :: 0.8500 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 :: 122.1980 Ave N Shift Values>> N :: 121.86(3.9) 1.Y160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.47 H 0.01 C Shift Assignments>> CA :: 56.5390 CB :: 36.3100 CD1 :: 133.0000 CD2 :: 133.0000 CE1 :: 118.4000 CE2 :: 118.4000 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 :: 8.7800 HA :: 4.5000 HB2 :: 2.8400 HB3 :: 3.2700 HD1 :: 7.1500 HD2 :: 7.1500 HE1 :: 6.9700 HE2 :: 6.9700 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 :: 125.4180 Ave N Shift Values>> N :: 120.52(4.2) 1.K161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.37 R 0.04 C Shift Assignments>> CA :: 54.9740 CB :: 34.3100 CG :: 24.7800 CD :: 29.0200 CE :: 41.5900 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 :: 7.0800 HA :: 4.4300 HB2 :: 1.5900 HB3 :: 1.6600 HG2 :: 1.2400 HG3 :: 1.3100 HD3 :: 1.5700 HE3 :: 2.8100 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 :: 120.1870 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.25 L 0.07 C 0.07 F 0.07 Y 0.06 C Shift Assignments>> CA :: 52.9760 CB :: 39.5070 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 :: 8.8580 HA :: 4.6700 HB2 :: 2.3600 HB3 :: 2.7500 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 :: 126.6100 Ave N Shift Values>> N :: 120.65(3.86) 1.E163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.3 E 0.23 Q 0.02 C Shift Assignments>> CA :: 55.9590 CB :: 32.6300 CG :: 35.9800 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 :: 7.3890 HA :: 4.3600 HB2 :: 1.7300 HB3 :: 1.8200 HG3 :: 2.0500 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 :: 121.4950 Ave N Shift Values>> N :: 120.67(3.48) 1.G164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.28 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 HN Overlap>> 1.G145 1.G145 C Shift Assignments>> CA :: 44.2180 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.4400 HA2 :: 3.8300 HA3 :: 4.0700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5000 Ave N Shift Values>> N :: 109.67(3.87) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.18 F 0.14 Y 0.11 C 0.06 R 0.03 N 0.02 I 0.01 HN Overlap>> 1.K148 1.K148 C Shift Assignments>> CA :: 56.1000 CB :: 41.4000 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 :: 8.3590 HA :: 4.0300 HB2 :: 1.6600 HB3 :: 1.7400 HD11 :: 0.9300 HD12 :: 0.9300 HD13 :: 0.9300 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 :: 121.0100 Ave N Shift Values>> N :: 121.86(3.9) 1.M166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 A 0.24 M 0.23 C Shift Assignments>> CA :: 55.0510 CB :: 37.5590 CG :: 32.9900 CE :: 16.7300 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>> HA :: 5.5100 HB2 :: 1.8800 HB3 :: 2.3000 HG2 :: 2.3300 HG3 :: 2.7400 HE1 :: 1.6000 HE2 :: 1.6000 HE3 :: 1.6000 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) 1.I167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.18 G 0.01 C Shift Assignments>> CA :: 58.0930 CB :: 42.1480 CG1 :: 27.8000 CG2 :: 15.2000 CD1 :: 13.8400 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.1840 HA :: 4.9400 HB :: 1.0990 HG13 :: 0.5200 HG21 :: 0.4100 HG22 :: 0.4100 HG23 :: 0.4100 HD11 :: 0.0360 HD12 :: 0.0360 HD13 :: 0.0360 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.9280 Ave N Shift Values>> N :: 121.46(4.28) 1.Q168 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> K 0.28 Q 0.27 C 0.23 M 0.09 R 0.07 P 0.02 C Shift Assignments>> CA :: 52.7060 CB :: 28.9710 CG :: 32.9900 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 :: 7.6300 HA :: 4.3500 HB2 :: -1.1200(A) HB3 :: 1.1100 HG2 :: 0.6500(S) HG3 :: 1.5800 HE21 :: 7.2400 HE22 :: 6.9300 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 :: 127.5210 NE2 :: 112.7800 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.17 E 0.11 R 0.11 H 0.09 V 0.08 Q 0.06 K 0.05 M 0.04 I 0.03 HN Overlap>> 1.C155 1.C155 C Shift Assignments>> CA :: 59.6700 CB :: 30.7200 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.8920 HA :: 4.3300 HB2 :: 2.5900 HB3 :: 3.2000 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 :: 127.1650 Ave N Shift Values>> N :: 120.17(4.64) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.21 F 0.14 D 0.13 Y 0.1 R 0.06 C 0.06 N 0.01 I 0.01 C Shift Assignments>> CA :: 56.5710 CB :: 41.7360 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 :: 9.3460 HA :: 4.4100 HB3 :: 2.6500 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.2110 Ave N Shift Values>> N :: 120.65(3.86) 1.K171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.41 R 0.14 C Shift Assignments>> CA :: 57.9930 CB :: 34.0380 CG :: 25.7000 CD :: 28.9000 CE :: 41.9900 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 :: 8.8480 HA :: 4.4600 HB2 :: 1.6900 HB3 :: 2.4100 HG3 :: 1.3300 HD2 :: 1.6800 HD3 :: 1.7400 HE3 :: 2.9800 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 :: 120.9300 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.06 Q 0.05 M 0.04 I 0.03 C Shift Assignments>> CA :: 59.6100 CB :: 30.9020 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3740 HA :: 4.7900 HB2 :: 2.4200 HB3 :: 3.2000 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 :: 119.2880 Ave N Shift Values>> N :: 120.17(4.64) 1.M173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.28 A 0.07 I 0.01 C Shift Assignments>> CA :: 56.9610 CB :: 29.0560 CG :: 32.8800 CE :: 17.6000 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 :: 7.3070 HA :: 4.2900 HB2 :: 2.1600 HB3 :: 2.4900 HG2 :: 2.1800 HG3 :: 2.5100 HE1 :: 1.9900 HE2 :: 1.9900 HE3 :: 1.9900 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 :: 113.2790 Ave N Shift Values>> N :: 120.09(3.57) 1.V174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> CA :: 62.3920 CB :: 32.5700 CG1 :: 21.5000 CG2 :: 18.2200 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 :: 7.9460 HA :: 4.6700 HB :: 2.2500 HG11 :: 1.1600 HG12 :: 1.1600 HG13 :: 1.1600 HG21 :: 1.0300 HG22 :: 1.0300 HG23 :: 1.0300 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 :: 117.6740 Ave N Shift Values>> N :: 121.14(4.54) 1.W175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> CA :: 55.9220 CB :: 31.0930 CD1 :: 127.7000 CE3 :: 118.5300 CZ2 :: 115.3300 CZ3 :: 122.2300 CH2 :: 124.0600 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 :: 9.0000 HA :: 5.2200 HB3 :: 2.9000 HD1 :: 7.3600 HE3 :: 7.4500 HZ2 :: 7.3300 HZ3 :: 6.8000 HH2 :: 6.8900 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 :: 119.3890 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 C 0.28 Q 0.14 K 0.02 C Shift Assignments>> CA :: 53.8250 CB :: 31.8210 CG :: 32.7000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.3620 HA :: 4.4700 HB2 :: 1.8500 HB3 :: 2.0800 HG2 :: 1.8200 HG3 :: 2.5200 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.4930 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H177 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.33 H 0.33 C 0.32 C Shift Assignments>> CA :: 57.8550 CB :: 30.5210 CD2 :: 119.3900 CE1 :: 137.4200 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.3670 HA :: 4.1500 HB2 :: 3.7500 HB3 :: 4.2000 HD2 :: 7.1300 HE1 :: 7.8200 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 :: 122.4210 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) SRO Rule Breaks>> (HA > HB3 : 0.9952) 1.C178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.37 C 0.08 C Shift Assignments>> CA :: 64.7650 CB :: 26.6660 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.0400 HA :: 3.7000 HB2 :: 2.5400 HB3 :: 3.4400 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 :: 124.6000 Ave N Shift Values>> N :: 120.17(4.64) 1.D179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.26 C 0.14 D 0.11 L 0.08 N 0.05 I 0.05 C Shift Assignments>> CA :: 56.8290 CB :: 39.4470 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 :: 9.3400 HA :: 4.4400 HB3 :: 2.6800 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 :: 117.2980 Ave N Shift Values>> N :: 120.65(3.86) 1.C180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.21 P 0.19 I 0.14 W 0.1 E 0.02 R 0.02 H 0.02 Q 0.01 K 0.01 C Shift Assignments>> CA :: 62.2950 CB :: 30.3900 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.0910 HA :: 3.9800 HB3 :: 2.9700 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 :: 118.8050 Ave N Shift Values>> N :: 120.17(4.64) 1.M181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.14 A 0.08 I 0.02 C Shift Assignments>> CA :: 53.0800 CB :: 29.5180 CE :: 14.1200 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 :: 7.2500 HA :: 4.7700 HB2 :: 1.7100 HB3 :: 2.4900 HG2 :: 2.6800 HG3 :: 2.7900 HE1 :: 2.1700 HE2 :: 2.1700 HE3 :: 2.1700 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 :: 110.8390 Ave N Shift Values>> N :: 120.09(3.57) 1.G182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.5660 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9300 HA3 :: 3.9700 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3300 Ave N Shift Values>> N :: 109.67(3.87) 1.V183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.47 C Shift Assignments>> CA :: 60.3490 CB :: 34.0470 CG1 :: 21.5600 CG2 :: 20.6400 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 :: 7.6320 HA :: 4.4200 HB :: 1.9500 HG11 :: 0.9700 HG12 :: 0.9700 HG13 :: 0.9700 HG21 :: 0.8000 HG22 :: 0.8000 HG23 :: 0.8000 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 :: 116.1060 Ave N Shift Values>> N :: 121.14(4.54) 1.N184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.21 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> CA :: 52.0970 CB :: 39.2750 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 :: 8.1870 HA :: 4.8500 HB3 :: 2.8800 HD21 :: 7.6000 HD22 :: 6.8900 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.4750 ND2 :: 112.8800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 61.9840 CB :: 69.3480 CG2 :: 22.3200 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 :: 7.8720 HA :: 4.1200 HB :: 4.3800 HG21 :: 1.2400 HG22 :: 1.2400 HG23 :: 1.2400 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 :: 108.7180 Ave N Shift Values>> N :: 115.42(4.75) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 D 0.28 L 0.11 F 0.11 Y 0.1 C 0.08 HN Overlap>> 1.V200 1.V200 C Shift Assignments>> CA :: 54.1400 CB :: 39.7800 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 :: 8.2500 HA :: 4.5900 HB3 :: 2.6800 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 :: 120.0200 Ave N Shift Values>> N :: 120.65(3.86) 1.V187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 62.1700 CB :: 32.6200 CG1 :: 22.1000 CG2 :: 20.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.3300 HA :: 4.1300 HB :: 2.2100 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 1.0000 HG22 :: 1.0000 HG23 :: 1.0000 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.2000 Ave N Shift Values>> N :: 121.14(4.54) 1.E188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.07 K 0.05 M 0.05 Q 0.04 C Shift Assignments>> CA :: 58.4600 CB :: 30.1600 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 :: 8.5900 HA :: 4.0400 HB2 :: 1.8200 HB3 :: 1.8800 HG2 :: 2.0000 HG3 :: 2.2600 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 :: 124.4400 Ave N Shift Values>> N :: 120.67(3.48) 1.H189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.44 W 0.32 C 0.23 HN Overlap>> 1.I99 1.I99 C Shift Assignments>> CA :: 53.9000 CB :: 30.1600 CD2 :: 120.0000 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 :: 8.1100 HA :: 4.8800 HB2 :: 3.0400 HB3 :: 3.1900 HD2 :: 7.2900 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 :: 116.3000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 I 0.15 C 0.13 L 0.04 K 0.04 D 0.02 C Shift Assignments>> CA :: 59.3020 CB :: 40.4760 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 :: 8.5280 HA :: 4.3000 HB3 :: 2.6900 HD1 :: 6.4600 HD2 :: 6.4600 HE1 :: 6.5400 HE2 :: 6.5400 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 :: 122.5300 Ave N Shift Values>> N :: 120.52(4.2) 1.L191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.23 L 0.11 C Shift Assignments>> CA :: 51.8010 CB :: 46.8000 CG :: 27.2500 CD1 :: 26.0200 CD2 :: 25.9300 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 :: 6.7650 HA :: 5.4900 HB2 :: 1.0800 HB3 :: 1.4800 HG :: 1.5200 HD11 :: 0.8150 HD12 :: 0.8150 HD13 :: 0.8150 HD21 :: 0.9940 HD22 :: 0.9940 HD23 :: 0.9940 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.7820 Ave N Shift Values>> N :: 121.86(3.9) 1.C192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.12 H 0.12 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 C Shift Assignments>> CA :: 58.2150 CB :: 29.9690 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.6400 HA :: 4.5060 HB2 :: 2.5700 HB3 :: 3.4000 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 :: 123.7700 Ave N Shift Values>> N :: 120.17(4.64) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.23 Q 0.12 K 0.08 I 0.08 R 0.03 C Shift Assignments>> CA :: 56.9830 CB :: 27.3000 CG :: 35.7000 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 10.0000 HA :: 4.3000 HB2 :: 1.8000 HB3 :: 2.2400 HG3 :: 2.5100 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 :: 122.4610 Ave N Shift Values>> N :: 120.67(3.48) 1.Q194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.08 R 0.05 M 0.02 I 0.01 C Shift Assignments>> CA :: 57.3000 CB :: 28.6200 CG :: 34.0000 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.4380 HA :: 4.2800 HB3 :: 2.0300 HG2 :: 2.2700 HG3 :: 2.4200 HE21 :: 7.3430 HE22 :: 6.7860 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.3760 NE2 :: 110.6500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 C 0.22 V 0.19 P 0.16 W 0.07 E 0.01 R 0.01 H 0.01 HN Overlap>> 1.D201 1.D201 1.A48 1.A48 C Shift Assignments>> CA :: 63.3000 CB :: 29.8000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.3500 HA :: 3.9000 HB2 :: 2.6800 HB3 :: 2.7800 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 :: 124.2000 Ave N Shift Values>> N :: 120.17(4.64) 1.D196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.14 K 0.07 C 0.05 R 0.04 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> CA :: 51.5000 CB :: 41.9000 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 :: 8.0800 HA :: 4.8000 HB2 :: 2.2300 HB3 :: 2.3400 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 :: 118.3000 Ave N Shift Values>> N :: 120.65(3.86) 1.P197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> CA :: 63.5000 CB :: 31.6000 CG :: 27.2500 CD :: 49.9500 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 :: 4.5400 HB2 :: 1.8400 HB3 :: 2.2070 HG2 :: 1.8700 HG3 :: 2.0000 HD2 :: 3.2800 HD3 :: 3.5300 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.R198 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.39 C 0.23 L 0.15 G 0.11 K 0.09 HN Overlap>> 1.V6 1.V6 C Shift Assignments>> CA :: 53.2000 CB :: 28.9000 CG :: 26.4300 CD :: 43.3000 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 :: 7.9300 HA :: 4.6400 HB2 :: 1.7400 HB3 :: 1.8900 HG2 :: 1.4700 HG3 :: 1.7300 HD3 :: 3.1500 HE :: 7.1590 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.7000 NE :: 78.9900(S) 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.P199 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>> CA :: 62.6720 CB :: 31.4200 CG :: 27.5000 CD :: 50.2200 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 :: 4.4900 HB2 :: 1.9100 HB3 :: 2.2700 HG2 :: 2.0000 HG3 :: 2.0800 HD2 :: 3.6100 HD3 :: 3.7400 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.V200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 HN Overlap>> 1.D186 1.D186 C Shift Assignments>> CA :: 61.6290 CB :: 33.0830 CG1 :: 21.7800 CG2 :: 20.4000 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2700 HA :: 4.2200 HB :: 2.1100 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0970 Ave N Shift Values>> N :: 121.14(4.54) 1.D201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 HN Overlap>> 1.C195 1.A48 1.C195 1.A48 C Shift Assignments>> CA :: 54.0420 CB :: 41.1590 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 :: 8.4010 HA :: 4.6300 HB2 :: 2.5900 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 :: 124.2430 Ave N Shift Values>> N :: 120.65(3.86) 1.R202 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.51 C 0.35 G 0.06 K 0.05 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> CA :: 55.4750 CB :: 31.0000 CG :: 27.0400 CD :: 43.3000 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 :: 8.1900 HA :: 4.3700 HB2 :: 1.7400 HB3 :: 1.8600 HG3 :: 1.6200 HD3 :: 3.2100 HE :: 7.2200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1100 NE :: 78.9000(S) 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.E203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 Q 0.14 E 0.13 W 0.13 R 0.13 C 0.11 K 0.11 M 0.05 I 0.01 HN Overlap>> 1.L106 1.L159 1.E136 1.L106 1.L159 1.E136 C Shift Assignments>> CA :: 56.3660 CB :: 29.7100 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 :: 8.4700 HA :: 4.2700 HB2 :: 1.9700 HB3 :: 2.0900 HG3 :: 2.2600 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 :: 122.1980 Ave N Shift Values>> N :: 120.67(3.48) 1.V204 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>> CA :: 59.4120 CB :: 32.3800 CG1 :: 21.2600 CG2 :: 20.3300 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 :: 8.1380 HA :: 4.4100 HB :: 2.1000 HG11 :: 1.0000 HG12 :: 1.0000 HG13 :: 1.0000 HG21 :: 0.9500 HG22 :: 0.9500 HG23 :: 0.9500 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.6390 Ave N Shift Values>> N :: 121.14(4.54) 1.P205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 64.9000 CB :: 32.1200 CG :: 27.2900 CD :: 50.7700 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 :: 4.2200 HB2 :: 1.8900 HB3 :: 2.2400 HG2 :: 1.9400 HG3 :: 2.0100 HD2 :: 3.6900 HD3 :: 3.8100 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.MLY4 Overall Status: Residue type MLY not supported. 2.Q5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 3.ZN1 Overall Status: Residue type ZN not supported. 3.ZN2 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 203 #Clerical: 0 #Suspicious: 11 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 205 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 215 #Suspicious: 1 C Shift Results: #Consistent: 682 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1318 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 3 N Shift Results: #Consistent: 206 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 Error Summary: 1.R8 NE = 77.7900(S), Expected = 84.63, Std = 1.6800, ChiSquare = 4.6726e-05 1.R11 NE = 77.7900(S), Expected = 84.63, Std = 1.6800, ChiSquare = 4.6726e-05 1.R27 NE = 79.0800(S), Expected = 84.63, Std = 1.6800, ChiSquare = 9.5462e-04 1.Y50 HD1 = 4.8100(A), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5870e-12 1.Y50 HD2 = 4.8100(A), Expected = 6.93, Std = 0.3000, ChiSquare = 1.5870e-12 1.I67 HG13 = 2.6400(S), Expected = 1.19, Std = 0.4100, ChiSquare = 4.0534e-04 1.F78 HB2 = 1.7700(S), Expected = 3.00, Std = 0.3700, ChiSquare = 8.8633e-04 1.M82 HB2 = 0.4800(S), Expected = 2.03, Std = 0.3400, ChiSquare = 5.1441e-06 1.M82 HG2 = 1.0600(S), Expected = 2.42, Std = 0.3500, ChiSquare = 1.0203e-04 1.Y92 HD1 = 5.8800(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.6526e-04 1.Y92 HD2 = 5.8800(S), Expected = 6.93, Std = 0.3000, ChiSquare = 4.6526e-04 1.R154 NE = 98.6000(S), Expected = 84.63, Std = 1.6800, ChiSquare = 9.1385e-17 1.Q168 HB2 = -1.1200(A), Expected = 2.05, Std = 0.2500, ChiSquare = 7.6332e-37 1.Q168 HG2 = 0.6500(S), Expected = 2.32, Std = 0.2700, ChiSquare = 6.2030e-10 1.H177 SRO Rule Break>> HA > HB3 : 0.995208761122519 1.R198 NE = 78.9900(S), Expected = 84.63, Std = 1.6800, ChiSquare = 7.8752e-04 1.R202 NE = 78.9000(S), Expected = 84.63, Std = 1.6800, ChiSquare = 6.4793e-04