Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.099 CA :: 59.520 CB :: 64.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.570 HB2 :: 3.910 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.693 Ave N Shift Values>> N :: 116.3(3.95) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Q 0.19 M 0.17 K 0.16 E 0.09 W 0.03 H 0.03 R 0.03 V 0.02 Y 0.01 C Shift Assignments>> C :: 176.122 CA :: 56.860 CB :: 34.120 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.802 HA :: 4.650 HB2 :: 2.110 HB3 :: 2.160 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.862 Ave N Shift Values>> N :: 120.1(3.88) 1.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.739 CA :: 63.050 CB :: 70.820 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.338(D) HA :: 4.440 HB :: 4.290 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.657(D) Ave N Shift Values>> N :: 115.7(5.05) 1.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 174.331 CA :: 46.480 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.568(D) HA2 :: 4.040 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.288(D) Ave N Shift Values>> N :: 109.91(4.29) 1.G7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 173.876 CA :: 46.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.398(D) HA2 :: 4.010 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.556(D) Ave N Shift Values>> N :: 109.91(4.29) 1.Q8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.13 C 0.12 Q 0.11 M 0.07 K 0.06 I 0.01 V 0.01 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 175.649 CA :: 57.050 CB :: 30.500 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.416(D) HA :: 4.350 HB2 :: 2.040 HB3 :: 2.140 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.713(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.13 C 0.12 Q 0.11 M 0.07 K 0.06 I 0.01 V 0.01 HN Overlap>> 1.R101 1.R101 C Shift Assignments>> C :: 175.601 CA :: 57.090 CB :: 30.500 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.629(D) HA :: 4.350 HB2 :: 2.030 HB3 :: 2.150 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.537(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 Q 0.2 M 0.17 K 0.17 E 0.08 W 0.04 R 0.03 H 0.03 V 0.02 Y 0.01 HN Overlap>> 1.E33 1.Q72 1.E33 1.Q72 C Shift Assignments>> C :: 176.304 CA :: 56.880 CB :: 33.980 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.568(D) HA :: 4.520 HB2 :: 2.040 HB3 :: 2.120 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 121.708(D) Ave N Shift Values>> N :: 120.1(3.88) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.11 L 0.05 C Shift Assignments>> C :: 173.281 CA :: 46.280 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.560(D) HA2 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.174(D) Ave N Shift Values>> N :: 109.91(4.29) 1.R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.16 C 0.16 M 0.16 R 0.11 W 0.1 H 0.09 E 0.08 Q 0.07 V 0.03 HN Overlap>> 1.F22 1.F22 C Shift Assignments>> C :: 175.341 CA :: 56.930 CB :: 32.280 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.214(D) HA :: 4.380 HB2 :: 1.750 HB3 :: 1.860 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.197(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 D 0.23 R 0.12 K 0.11 C 0.1 N 0.05 F 0.04 Y 0.03 G 0.01 HN Overlap>> 1.W115 1.W115 C Shift Assignments>> C :: 174.405 CA :: 53.320 CB :: 42.400 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.596(D) HA :: 4.890 HB2 :: 2.590 HB3 :: 2.800 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.858(D) Ave N Shift Values>> N :: 120.73(4.2) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 P 0.32 C 0.07 I 0.02 C Shift Assignments>> C :: 177.060 CA :: 64.780 CB :: 33.330 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.460 HB2 :: 2.020 HB3 :: 2.310 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 136.872 Ave N Shift Values>> N :: 127.4(10.05) 1.G15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 173.619 CA :: 46.350 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.660(D) HA2 :: 3.990 HA3 :: 3.920 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.388(D) Ave N Shift Values>> N :: 109.91(4.29) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 F 0.21 Y 0.16 C 0.15 C Shift Assignments>> C :: 175.821 CA :: 62.010 CB :: 40.010 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.899(D) HA :: 4.290 HB :: 1.930 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.562(D) Ave N Shift Values>> N :: 121.6(4.72) 1.S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S103 1.S103 C Shift Assignments>> C :: 174.093 CA :: 59.300 CB :: 65.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.562(D) HA :: 4.570 HB2 :: 3.910 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.154(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.978 CA :: 59.490 CB :: 65.220 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.570(D) HA :: 4.520 HB2 :: 3.900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.250(D) Ave N Shift Values>> N :: 116.3(3.95) 1.D19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.19 R 0.14 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> 1.D26 1.D26 1.R73 1.R73 C Shift Assignments>> C :: 175.612 CA :: 55.870 CB :: 42.150 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.506(D) HA :: 4.630 HB2 :: 2.760 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.265(D) Ave N Shift Values>> N :: 120.73(4.2) 1.D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 R 0.15 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> C :: 175.455 CA :: 55.710 CB :: 42.270 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.242(D) HA :: 4.600 HB2 :: 2.620 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.870(D) Ave N Shift Values>> N :: 120.73(4.2) 1.D21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 R 0.15 D 0.14 C 0.1 F 0.07 Y 0.06 N 0.01 C Shift Assignments>> C :: 175.545 CA :: 55.550 CB :: 42.270 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.230(D) HA :: 4.620 HB2 :: 2.590 HB3 :: 2.650 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.074(D) Ave N Shift Values>> N :: 120.73(4.2) 1.F22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 C 0.17 I 0.13 K 0.09 L 0.05 D 0.02 R 0.01 HN Overlap>> 1.R12 1.R126 1.R12 1.R126 C Shift Assignments>> C :: 174.994 CA :: 59.230 CB :: 40.700 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.149(D) HA :: 4.580 HB2 :: 3.090 HB3 :: 3.160 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.277(D) Ave N Shift Values>> N :: 120.69(4.18) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.17 K 0.16 D 0.13 C 0.1 F 0.07 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 175.680 CA :: 55.430 CB :: 42.460 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.411(D) HA :: 4.660 HB2 :: 2.610 HB3 :: 2.750 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.044(D) Ave N Shift Values>> N :: 120.73(4.2) 1.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.500 CA :: 59.730 CB :: 65.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.352(D) HA :: 4.510 HB2 :: 3.900 HB3 :: 3.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.215(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.03 HN Overlap>> 1.S28 1.S28 C Shift Assignments>> C :: 173.940 CA :: 60.210 CB :: 65.100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.512(D) HA :: 4.450 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.004(D) Ave N Shift Values>> N :: 116.3(3.95) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 R 0.17 K 0.17 D 0.13 C 0.1 F 0.07 Y 0.05 N 0.01 G 0.01 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> C :: 175.885 CA :: 55.470 CB :: 42.410 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.425(D) HA :: 4.710 HB2 :: 2.680 HB3 :: 2.760 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.200(D) Ave N Shift Values>> N :: 120.73(4.2) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 174.340 CA :: 59.730 CB :: 65.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.366(D) HA :: 4.510 HB2 :: 3.890 HB3 :: 3.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.375(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> C :: 174.252 CA :: 59.770 CB :: 65.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.516(D) HA :: 4.540 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.021(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.880 CA :: 59.610 CB :: 65.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466(D) HA :: 4.540 HB2 :: 3.920 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.547(D) Ave N Shift Values>> N :: 116.3(3.95) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.19 R 0.15 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 175.863 CA :: 55.730 CB :: 42.240 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.458(D) HA :: 4.670 HB2 :: 2.660 HB3 :: 2.760 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.400(D) Ave N Shift Values>> N :: 120.73(4.2) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 W 0.12 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 176.090 CA :: 57.630 CB :: 31.660 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.386(D) HA :: 4.310 HB2 :: 1.960 HB3 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.578(D) Ave N Shift Values>> N :: 120.68(3.68) 1.E32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 W 0.12 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.03 I 0.01 HN Overlap>> 1.E33 1.Q72 1.E33 1.Q72 C Shift Assignments>> C :: 176.120 CA :: 57.630 CB :: 31.660 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.496(D) HA :: 4.310 HB2 :: 1.950 HB3 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.800(D) Ave N Shift Values>> N :: 120.68(3.68) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 R 0.13 W 0.13 E 0.12 M 0.11 H 0.1 K 0.1 Q 0.07 V 0.03 I 0.01 HN Overlap>> 1.M10 1.E79 1.M10 1.E79 1.Q72 1.E32 1.Q72 1.E32 C Shift Assignments>> C :: 176.100 CA :: 57.710 CB :: 31.340 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.478(D) HA :: 4.350 HB2 :: 1.980 HB3 :: 2.090 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.713(D) Ave N Shift Values>> N :: 120.68(3.68) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 173.690 CA :: 59.470 CB :: 65.180 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.495(D) HA :: 4.490 HB2 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.100(D) Ave N Shift Values>> N :: 116.3(3.95) 1.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 R 0.16 D 0.13 C 0.1 F 0.08 Y 0.06 N 0.01 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 176.104 CA :: 55.690 CB :: 42.290 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.512(D) HA :: 4.740 HB2 :: 2.740 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.522(D) Ave N Shift Values>> N :: 120.73(4.2) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.206 CA :: 62.930 CB :: 70.810 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.216(D) HA :: 4.350 HB :: 4.350 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.703(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Q8 1.Q8 C Shift Assignments>> C :: 172.226 CA :: 58.220 CB :: 64.250 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.396(D) HA :: 4.760 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.680(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 P 0.35 C 0.07 I 0.02 C Shift Assignments>> C :: 176.469 CA :: 64.520 CB :: 33.130 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.470 HB2 :: 2.320 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 137.669 Ave N Shift Values>> N :: 127.4(10.05) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 W 0.14 E 0.14 H 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 175.547 CA :: 57.010 CB :: 30.580 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.553(D) HA :: 4.330 HB2 :: 2.010 HB3 :: 2.100 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.438(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 F 0.19 Y 0.15 C 0.15 C Shift Assignments>> C :: 175.732 CA :: 62.150 CB :: 39.600 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.255(D) HA :: 4.170 HB :: 1.880 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.366(D) Ave N Shift Values>> N :: 121.6(4.72) 1.M41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 C 0.19 M 0.18 K 0.17 E 0.06 W 0.04 H 0.03 R 0.03 V 0.02 Y 0.01 C Shift Assignments>> C :: 175.595 CA :: 56.360 CB :: 33.860 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.562(D) HA :: 4.540 HB2 :: 2.060 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 124.836(D) Ave N Shift Values>> N :: 120.1(3.88) 1.K42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 Q 0.17 K 0.15 M 0.15 E 0.11 V 0.04 W 0.03 R 0.02 H 0.02 Y 0.02 C Shift Assignments>> C :: 176.038 CA :: 57.620 CB :: 34.290 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.490(D) HA :: 4.340 HB2 :: 1.800 HB3 :: 1.860 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.448(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.95 T 0.04 HN Overlap>> 1.S82 1.S82 C Shift Assignments>> C :: 173.906 CA :: 59.760 CB :: 65.340 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.466(D) HA :: 4.490 HB2 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.971(D) Ave N Shift Values>> N :: 116.3(3.95) 1.D44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.24 K 0.18 R 0.14 D 0.14 C 0.1 F 0.08 Y 0.06 N 0.01 C Shift Assignments>> C :: 176.014 CA :: 55.540 CB :: 42.220 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.590(D) HA :: 4.690 HB2 :: 2.700 HB3 :: 2.750 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.398(D) Ave N Shift Values>> N :: 120.73(4.2) 1.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 P 0.31 C 0.11 I 0.02 W 0.01 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 176.089 CA :: 63.640 CB :: 33.580 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.184(D) HA :: 4.220 HB :: 2.180 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.791(D) Ave N Shift Values>> N :: 121.02(4.96) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.090 CA :: 63.550 CB :: 70.890 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.380(D) HA :: 4.350 HB :: 4.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.650(D) Ave N Shift Values>> N :: 115.7(5.05) 1.M47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 Q 0.2 M 0.18 K 0.16 E 0.08 W 0.03 H 0.03 R 0.03 V 0.02 Y 0.01 HN Overlap>> 1.R109 1.R109 C Shift Assignments>> C :: 175.173 CA :: 56.400 CB :: 34.100 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.390(D) HA :: 4.520 HB2 :: 2.040 HB3 :: 2.130 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.900(D) Ave N Shift Values>> N :: 120.1(3.88) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.28 L 0.06 C 0.05 C Shift Assignments>> C :: 177.047 CA :: 53.550 CB :: 20.410 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.375(D) HA :: 4.380 HB1 :: 1.410 HB2 :: 1.410 HB3 :: 1.410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.384(D) Ave N Shift Values>> N :: 123.23(3.7) 1.S49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S82 1.S82 C Shift Assignments>> C :: 171.477 CA :: 57.780 CB :: 64.250 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.401(D) HA :: 4.770 HB2 :: 3.880 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.807(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Consistent PRTL>> P 0.35 V 0.34 C 0.11 I 0.07 W 0.05 R 0.01 E 0.01 K 0.01 C Shift Assignments>> C :: 174.270 CA :: 62.630 CB :: 31.830 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) N Shift Assignments>> N :: 138.990 Ave N Shift Values>> N :: 127.4(10.05) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 P 0.36 C 0.08 I 0.02 W 0.01 C Shift Assignments>> C :: 176.466 CA :: 64.030 CB :: 33.120 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.510 HB2 :: 1.990 HB3 :: 2.350 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 135.608 Ave N Shift Values>> N :: 127.4(10.05) 1.S52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.916 CA :: 59.550 CB :: 64.910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558(D) HA :: 4.500 HB2 :: 3.900 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.246(D) Ave N Shift Values>> N :: 116.3(3.95) 1.T53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.209 CA :: 60.810 CB :: 70.930 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.286(D) HA :: 4.660 HB :: 4.190 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.154(D) Ave N Shift Values>> N :: 115.7(5.05) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 P 0.37 C 0.08 I 0.02 W 0.01 C Shift Assignments>> C :: 176.238 CA :: 64.130 CB :: 33.010 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.460 HB2 :: 1.910 HB3 :: 2.320 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 138.494 Ave N Shift Values>> N :: 127.4(10.05) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.15 C 0.13 W 0.12 E 0.11 Q 0.11 M 0.1 K 0.07 C Shift Assignments>> C :: 174.125 CA :: 55.670 CB :: 30.660 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.590(D) HA :: 4.560 HB2 :: 1.940 HB3 :: 2.370 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.827(D) Ave N Shift Values>> N :: 120.68(3.68) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 P 0.35 C 0.09 I 0.02 W 0.01 C Shift Assignments>> C :: 176.227 CA :: 63.970 CB :: 33.230 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.470 HB2 :: 1.930 HB3 :: 2.310 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 137.222 Ave N Shift Values>> N :: 127.4(10.05) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.691 CA :: 57.530 CB :: 64.450 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.597(D) HA :: 4.780 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.643(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 P 0.35 C 0.08 I 0.02 W 0.01 C Shift Assignments>> C :: 176.128 CA :: 64.410 CB :: 33.170 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.470 HB2 :: 1.950 HB3 :: 2.310 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N Shift Assignments>> N :: 137.659 Ave N Shift Values>> N :: 127.4(10.05) 1.D59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.19 D 0.15 R 0.12 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 176.288 CA :: 55.510 CB :: 42.070 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.458(D) HA :: 4.640 HB2 :: 2.620 HB3 :: 2.770 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.013(D) Ave N Shift Values>> N :: 120.73(4.2) 1.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.49 P 0.33 C 0.1 I 0.02 W 0.01 HN Overlap>> 1.I76 1.V119 1.V87 1.I76 1.V119 1.V87 1.R95 1.R95 C Shift Assignments>> C :: 176.169 CA :: 63.650 CB :: 33.390 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.193(D) HA :: 4.220 HB :: 2.220 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.519(D) Ave N Shift Values>> N :: 121.02(4.96) 1.S61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.244 CA :: 59.800 CB :: 64.860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.481(D) HA :: 4.450 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.859(D) Ave N Shift Values>> N :: 116.3(3.95) 1.A62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.35 C 0.05 L 0.05 V 0.01 C Shift Assignments>> C :: 177.674 CA :: 54.190 CB :: 20.160 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.377(D) HA :: 4.390 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.609(D) Ave N Shift Values>> N :: 123.23(3.7) 1.S63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.912 CA :: 59.880 CB :: 64.770 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.349(D) HA :: 4.520 HB2 :: 3.960 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.367(D) Ave N Shift Values>> N :: 116.3(3.95) 1.T64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.T113 1.T113 C Shift Assignments>> C :: 174.587 CA :: 63.640 CB :: 70.530 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.221(D) HA :: 4.390 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.198(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.158 CA :: 60.090 CB :: 64.840 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.329(D) HA :: 4.450 HB2 :: 3.920 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.482(D) Ave N Shift Values>> N :: 116.3(3.95) 1.N66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 N 0.19 C 0.15 Y 0.13 F 0.12 L 0.1 K 0.02 I 0.01 HN Overlap>> 1.N105 1.C111 1.N105 1.C111 C Shift Assignments>> C :: 174.958 CA :: 54.750 CB :: 39.770 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.527(D) HA :: 4.720 HB2 :: 2.800 HB3 :: 2.880 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.659(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.3 L 0.23 C 0.12 K 0.09 F 0.07 Y 0.05 D 0.05 G 0.04 HN Overlap>> 1.L128 1.L128 C Shift Assignments>> C :: 177.148 CA :: 56.860 CB :: 43.290 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.151(D) HA :: 4.290 HB2 :: 1.600 HB3 :: 1.680 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.685(D) Ave N Shift Values>> N :: 121.98(4.07) 1.K68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 Q 0.17 K 0.17 M 0.15 E 0.06 W 0.05 V 0.05 R 0.04 H 0.03 C Shift Assignments>> C :: 176.360 CA :: 57.870 CB :: 33.640 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.298(D) HA :: 4.290 HB2 :: 1.850 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.261(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 W 0.13 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.04 I 0.01 HN Overlap>> 1.E79 1.E79 C Shift Assignments>> C :: 175.990 CA :: 57.700 CB :: 31.620 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.305(D) HA :: 4.310 HB2 :: 1.930 HB3 :: 2.090 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.773(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.13 C 0.12 Q 0.11 K 0.07 M 0.07 I 0.02 V 0.01 C Shift Assignments>> C :: 175.490 CA :: 57.170 CB :: 30.410 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.470(D) HA :: 4.350 HB2 :: 2.040 HB3 :: 2.140 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.319(D) Ave N Shift Values>> N :: 120.68(3.68) 1.R71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 M 0.13 K 0.12 W 0.12 E 0.1 H 0.1 Q 0.06 V 0.03 I 0.01 HN Overlap>> 1.D30 1.D35 1.D30 1.D35 C Shift Assignments>> C :: 176.170 CA :: 57.580 CB :: 31.700 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.501(D) HA :: 4.320 HB2 :: 1.840 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.483(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 W 0.12 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.04 I 0.01 HN Overlap>> 1.M10 1.E33 1.M10 1.E33 1.E32 1.E32 C Shift Assignments>> C :: 176.167 CA :: 57.700 CB :: 31.660 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.533(D) HA :: 4.310 HB2 :: 1.990 HB3 :: 2.080 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.800(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 M 0.13 W 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.03 I 0.01 HN Overlap>> 1.D19 1.D19 C Shift Assignments>> C :: 176.047 CA :: 57.540 CB :: 31.660 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.575(D) HA :: 4.410 HB2 :: 1.800 HB3 :: 1.910 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.230(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 S 0.11 Y 0.1 C 0.09 I 0.09 W 0.08 T 0.06 V 0.06 E 0.05 R 0.04 K 0.03 H 0.03 Q 0.03 M 0.02 L 0.01 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> C :: 174.090 CA :: 59.690 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.433(D) HA :: 4.520 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.326(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 P 0.35 C 0.07 I 0.02 W 0.01 C Shift Assignments>> C :: 176.290 CA :: 64.480 CB :: 33.120 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.420 HB2 :: 1.890 HB3 :: 2.280 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.52 F 0.17 C 0.14 Y 0.14 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 175.990 CA :: 62.450 CB :: 39.450 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.260(D) HA :: 4.110 HB :: 1.760 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 121.6(4.72) 1.T77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.790 CA :: 62.690 CB :: 71.090 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.080(D) HA :: 4.560 HB :: 4.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.400(D) Ave N Shift Values>> N :: 115.7(5.05) 1.W78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.14 R 0.13 H 0.1 Q 0.08 K 0.06 M 0.06 V 0.04 I 0.03 C Shift Assignments>> C :: 175.790 CA :: 58.490 CB :: 30.690 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.179(D) HA :: 4.700 HB2 :: 3.260 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.800(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 W 0.14 R 0.14 E 0.12 H 0.1 M 0.1 K 0.09 Q 0.07 V 0.03 I 0.02 HN Overlap>> 1.R69 1.R69 1.E33 1.E33 C Shift Assignments>> C :: 176.090 CA :: 57.940 CB :: 31.230 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.383(D) HA :: 4.180 HB2 :: 1.820 HB3 :: 1.960 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.700(D) Ave N Shift Values>> N :: 120.68(3.68) 1.H80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 C 0.14 W 0.13 E 0.12 M 0.11 H 0.11 K 0.1 Q 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 174.318 CA :: 57.290 CB :: 31.310 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.310(D) HA :: 4.440 HB2 :: 3.080 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.100(D) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.13 W 0.12 M 0.12 K 0.12 E 0.11 H 0.1 Q 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 176.050 CA :: 57.590 CB :: 31.630 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.480(D) HA :: 4.350 HB2 :: 2.020 HB3 :: 2.420 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.253(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.S43 1.S49 1.S43 1.S49 H Shift Assignments>> H :: 8.440 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.865 Ave N Shift Values>> N :: 116.3(3.95) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 P 0.35 C 0.07 I 0.02 C Shift Assignments>> C :: 175.290 CA :: 64.540 CB :: 33.090 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.400 HB2 :: 2.260 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.24 K 0.12 C 0.11 F 0.07 D 0.06 Y 0.05 G 0.03 HN Overlap>> 1.S85 1.S85 C Shift Assignments>> C :: 177.190 CA :: 56.590 CB :: 43.040 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.197 HA :: 4.390 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.600 Ave N Shift Values>> N :: 121.98(4.07) 1.S85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 174.090 CA :: 59.740 CB :: 65.020 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.152(D) HA :: 4.430 HB2 :: 3.910 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.500(D) Ave N Shift Values>> N :: 116.3(3.95) 1.R86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.14 R 0.14 W 0.13 E 0.12 M 0.11 H 0.11 K 0.1 Q 0.07 V 0.03 I 0.01 HN Overlap>> 1.I102 1.I102 C Shift Assignments>> C :: 178.190 CA :: 57.450 CB :: 31.310 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.311(D) HA :: 4.200 HB2 :: 1.840 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.700(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.55 P 0.28 I 0.1 C 0.04 HN Overlap>> 1.V119 1.V119 1.E129 1.V60 1.E129 1.V60 C Shift Assignments>> C :: 175.290 CA :: 66.290 CB :: 31.290 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.120(D) HA :: 4.100 HB :: 1.760 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 121.02(4.96) 1.Y88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.24 C 0.18 I 0.17 K 0.03 L 0.03 D 0.01 C Shift Assignments>> C :: 174.790 CA :: 59.430 CB :: 40.110 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.415(D) HA :: 2.990 HB2 :: 2.990 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.600(D) Ave N Shift Values>> N :: 120.79(4.69) 1.R89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.09 M 0.09 K 0.09 R 0.08 C 0.08 L 0.07 E 0.06 W 0.06 Y 0.05 F 0.05 D 0.03 S 0.03 N 0.01 A 0.01 C Shift Assignments>> C :: 174.790 CA :: 56.420 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.165(D) HA :: 4.350 HB2 :: 1.700 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.000(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 C 0.1 Y 0.09 E 0.09 F 0.09 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 176.190 CA :: 57.710 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.447(D) HA :: 4.670 HB2 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.000(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 I 0.25 C 0.2 P 0.07 Y 0.02 E 0.01 F 0.01 C Shift Assignments>> C :: 175.490 CA :: 63.620 CB :: 35.330 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.820 HB2 :: 2.130 HB3 :: 2.420 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 C 0.1 E 0.09 Y 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 172.990 CA :: 57.680 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.710(D) HA :: 4.750 HB2 :: 3.950 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.500(D) Ave N Shift Values>> N :: 116.3(3.95) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.38 I 0.28 C 0.19 P 0.07 Y 0.02 E 0.01 F 0.01 C Shift Assignments>> C :: 175.590 CA :: 63.930 CB :: 35.440 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.820 HB2 :: 2.120 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.M94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 L 0.1 Q 0.09 K 0.08 R 0.08 C 0.07 W 0.06 E 0.06 D 0.05 Y 0.05 F 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 174.190 CA :: 56.010 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.859(D) HA :: 4.560 HB2 :: 2.030 HB3 :: 2.400 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 123.400(D) Ave N Shift Values>> N :: 120.1(3.88) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 M 0.12 W 0.12 K 0.11 E 0.11 H 0.11 Q 0.07 V 0.03 I 0.01 HN Overlap>> 1.V119 1.V60 1.V119 1.V60 C Shift Assignments>> C :: 176.390 CA :: 57.290 CB :: 31.490 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.184 HB2 :: 1.690 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.21 C 0.16 K 0.11 I 0.1 L 0.06 D 0.03 R 0.02 C Shift Assignments>> C :: 175.790 CA :: 58.880 CB :: 40.730 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.401(D) HA :: 4.690 HB2 :: 3.040 HB3 :: 3.220 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.710(D) Ave N Shift Values>> N :: 120.69(4.18) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 173.390 CA :: 46.640 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.436(D) HA2 :: 3.990 HA3 :: 3.990 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.800(D) Ave N Shift Values>> N :: 109.91(4.29) 1.K98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 K 0.15 M 0.15 R 0.12 W 0.11 H 0.09 E 0.09 Q 0.05 V 0.03 C Shift Assignments>> C :: 175.679 CA :: 57.290 CB :: 32.010 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.192(D) HA :: 4.410 HB2 :: 1.810 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.400(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 C 0.1 E 0.09 Y 0.09 F 0.08 R 0.08 K 0.07 S 0.07 Q 0.06 H 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> C :: 172.190 CA :: 57.640 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.488(D) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.534(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.P100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.37 I 0.29 C 0.19 P 0.06 Y 0.02 E 0.01 F 0.01 C Shift Assignments>> C :: 175.590 CA :: 64.000 CB :: 35.490 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.820 HB2 :: 2.130 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 M 0.13 K 0.13 R 0.12 W 0.12 E 0.1 H 0.1 Q 0.05 V 0.03 I 0.01 HN Overlap>> 1.Q9 1.Q9 C Shift Assignments>> C :: 175.890 CA :: 57.510 CB :: 31.810 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.728(D) HA :: 4.340 HB2 :: 1.820 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.500(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.41 F 0.23 Y 0.16 C 0.16 K 0.01 HN Overlap>> 1.R86 1.R86 C Shift Assignments>> C :: 175.890 CA :: 62.050 CB :: 40.460 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.381(D) HA :: 4.310 HB :: 1.910 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.700(D) Ave N Shift Values>> N :: 121.6(4.72) 1.S103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 HN Overlap>> 1.S17 1.S17 C Shift Assignments>> C :: 174.040 CA :: 59.440 CB :: 65.100 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.649(D) HA :: 4.500 HB2 :: 3.890 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.200(D) Ave N Shift Values>> N :: 116.3(3.95) 1.S104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.790 CA :: 59.390 CB :: 65.000 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.315(D) HA :: 4.480 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.300(D) Ave N Shift Values>> N :: 116.3(3.95) 1.N105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 N 0.19 C 0.14 F 0.12 Y 0.12 L 0.1 K 0.02 I 0.01 HN Overlap>> 1.C111 1.N66 1.C111 1.N66 C Shift Assignments>> C :: 175.042 CA :: 54.610 CB :: 39.900 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.595(D) HA :: 4.820 HB2 :: 2.870 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.636 CA :: 60.070 CB :: 64.900 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.409(D) HA :: 4.540 HB2 :: 3.940 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.975(D) Ave N Shift Values>> N :: 116.3(3.95) 1.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.469 CA :: 63.690 CB :: 70.890 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.325(D) HA :: 4.360 HB :: 4.200 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.409(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.341 CA :: 59.800 CB :: 64.860 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.388(D) HA :: 4.500 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.997(D) Ave N Shift Values>> N :: 116.3(3.95) 1.R109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 K 0.17 M 0.15 Q 0.14 W 0.08 R 0.07 H 0.05 V 0.05 E 0.05 HN Overlap>> 1.M47 1.M47 C Shift Assignments>> C :: 176.040 CA :: 57.660 CB :: 33.070 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.492(D) HA :: 4.350 HB2 :: 1.830 HB3 :: 1.860 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.905(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.935 CA :: 59.690 CB :: 64.980 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.510(D) HA :: 4.480 HB2 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.400(D) Ave N Shift Values>> N :: 116.3(3.95) 1.C111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 I 0.15 C 0.14 E 0.11 K 0.1 Q 0.08 R 0.08 H 0.08 V 0.02 M 0.01 HN Overlap>> 1.N105 1.N105 1.N66 1.N66 C Shift Assignments>> C :: 174.260 CA :: 59.720 CB :: 29.090 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.586(D) HA :: 4.560 HB2 :: 2.990 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.596(D) Ave N Shift Values>> N :: 119.95(4.79) 1.K112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Q 0.18 K 0.16 M 0.15 E 0.07 V 0.05 W 0.05 R 0.03 H 0.03 Y 0.01 C Shift Assignments>> C :: 176.390 CA :: 57.860 CB :: 33.890 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.563(D) HA :: 4.390 HB2 :: 1.800 HB3 :: 1.910 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.702(D) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.T64 1.T64 C Shift Assignments>> C :: 174.190 CA :: 63.290 CB :: 71.090 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.228(D) HA :: 4.190 HB :: 3.990 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.200(D) Ave N Shift Values>> N :: 115.7(5.05) 1.S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 174.590 CA :: 59.510 CB :: 65.570 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.750(D) HA :: 4.530 HB2 :: 3.920 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.500(D) Ave N Shift Values>> N :: 116.3(3.95) 1.W115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.16 C 0.16 I 0.14 E 0.1 R 0.09 V 0.09 H 0.06 Q 0.05 K 0.04 P 0.03 M 0.02 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 176.490 CA :: 60.450 CB :: 30.130 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.682(D) HA :: 4.520 HB2 :: 3.360 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.800(D) Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.A116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.45 A 0.41 C 0.05 L 0.02 V 0.02 I 0.01 HN Overlap>> 1.R127 1.R127 C Shift Assignments>> C :: 178.190 CA :: 54.970 CB :: 19.690 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.187(D) HA :: 4.010 HB1 :: 1.300 HB2 :: 1.300 HB3 :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.200(D) Ave N Shift Values>> N :: 123.23(3.7) 1.D117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 L 0.2 R 0.14 C 0.11 F 0.11 D 0.09 Y 0.08 I 0.01 C Shift Assignments>> C :: 176.490 CA :: 56.610 CB :: 42.060 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.950(D) HA :: 4.510 HB2 :: 2.740 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.100(D) Ave N Shift Values>> N :: 120.73(4.2) 1.R118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 R 0.13 E 0.12 K 0.09 H 0.09 M 0.09 Q 0.06 V 0.06 I 0.02 C Shift Assignments>> C :: 177.190 CA :: 58.590 CB :: 31.340 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.000(D) HA :: 4.200 HB2 :: 1.840 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 P 0.32 C 0.06 I 0.02 HN Overlap>> 1.V87 1.V60 1.R95 1.V87 1.V60 1.R95 C Shift Assignments>> C :: 176.790 CA :: 65.170 CB :: 33.070 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.090(D) HA :: 3.870 HB :: 2.020 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.500(D) Ave N Shift Values>> N :: 121.02(4.96) 1.R120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 W 0.14 R 0.13 E 0.12 K 0.1 M 0.09 H 0.09 Q 0.06 V 0.06 I 0.02 C Shift Assignments>> C :: 178.090 CA :: 58.490 CB :: 31.390 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.119(D) HA :: 4.220 HB2 :: 1.890 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.100(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 C 0.14 R 0.13 E 0.13 H 0.1 K 0.08 M 0.08 Q 0.07 V 0.05 I 0.03 C Shift Assignments>> C :: 176.690 CA :: 58.570 CB :: 31.070 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.390(D) HA :: 4.180 HB2 :: 2.040 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.824(D) Ave N Shift Values>> N :: 120.68(3.68) 1.A122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 A 0.38 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.090 CA :: 55.210 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.223(D) HA :: 4.250 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.700(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 A 0.38 C 0.04 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 178.890 CA :: 55.200 CB :: 19.340 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.080(D) HA :: 4.240 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.200(D) Ave N Shift Values>> N :: 123.23(3.7) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.47 A 0.4 C 0.05 L 0.02 V 0.02 I 0.01 C Shift Assignments>> C :: 178.890 CA :: 55.100 CB :: 19.490 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.033(D) HA :: 4.230 HB1 :: 1.500 HB2 :: 1.500 HB3 :: 1.500 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.500(D) Ave N Shift Values>> N :: 123.23(3.7) 1.Q125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.13 R 0.11 H 0.11 Q 0.1 K 0.09 I 0.06 M 0.03 V 0.02 C Shift Assignments>> C :: 176.897 CA :: 58.590 CB :: 29.790 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.101(D) HA :: 4.200 HB2 :: 2.150 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.900(D) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R126 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.F22 1.F22 C Shift Assignments>> C :: 176.890 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.075(D) HA :: 4.270 HB2 :: 1.880 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.197(D) Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.R127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.14 R 0.13 E 0.11 K 0.1 M 0.1 H 0.09 Q 0.06 V 0.06 I 0.02 HN Overlap>> 1.A116 1.A116 C Shift Assignments>> C :: 176.515 CA :: 58.440 CB :: 31.460 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.087 HA :: 4.240 HB2 :: 1.900 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.176 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.09 E 0.09 R 0.09 W 0.09 K 0.08 Y 0.08 Q 0.07 F 0.07 H 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 HN Overlap>> 1.L67 1.L67 C Shift Assignments>> C :: 177.090 CA :: 57.290 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.062 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.616 Ave N Shift Values>> N :: 121.98(4.07) 1.E129 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.V87 1.V87 H Shift Assignments>> H :: 8.116 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.656 Ave N Shift Values>> N :: 120.68(3.68) 1.H130 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H133 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H134 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H135 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 28 #Clerical: 107 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 135 #Suspicious: 0 C Shift Results: #Consistent: 361 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 301 #Duplicate: 107 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 15 #Duplicate: 107 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.T5 H = 8.338(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.1267e-01 1.T5 N = 114.657(D), Expected = 115.70, Std = 5.0500, ChiSquare = 8.3637e-01 1.G6 H = 8.568(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.5800e-01 1.G6 N = 111.288(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.4805e-01 1.G7 H = 8.398(D), Expected = 8.34, Std = 0.7400, ChiSquare = 9.3753e-01 1.G7 N = 108.556(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.5229e-01 1.Q8 H = 8.416(D), Expected = 8.22, Std = 0.6200, ChiSquare = 7.5190e-01 1.Q8 N = 119.713(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.5883e-01 1.Q9 H = 8.629(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.0946e-01 1.Q9 N = 121.537(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.8677e-01 1.M10 H = 8.568(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.0772e-01 1.M10 N = 121.708(D), Expected = 120.10, Std = 3.8800, ChiSquare = 6.7856e-01 1.G11 H = 8.560(D), Expected = 8.34, Std = 0.7400, ChiSquare = 7.6624e-01 1.G11 N = 110.174(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.5093e-01 1.R12 H = 8.214(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.6544e-01 1.R12 N = 120.197(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.1566e-01 1.D13 H = 8.596(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4074e-01 1.D13 N = 123.858(D), Expected = 120.73, Std = 4.2000, ChiSquare = 4.5642e-01 1.G15 H = 8.660(D), Expected = 8.34, Std = 0.7400, ChiSquare = 6.6543e-01 1.G15 N = 108.388(D), Expected = 109.91, Std = 4.2900, ChiSquare = 7.2276e-01 1.I16 H = 7.899(D), Expected = 8.26, Std = 0.7100, ChiSquare = 6.1114e-01 1.I16 N = 119.562(D), Expected = 121.60, Std = 4.7200, ChiSquare = 6.6590e-01 1.S17 H = 8.562(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.6087e-01 1.S17 N = 120.154(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.2922e-01 1.S18 H = 8.570(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.5155e-01 1.S18 N = 118.250(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.2154e-01 1.D19 H = 8.506(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.5749e-01 1.D19 N = 122.265(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.1476e-01 1.D20 H = 8.242(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.7731e-01 1.D20 N = 119.870(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.3776e-01 1.D21 H = 8.230(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.6074e-01 1.D21 N = 120.074(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.7588e-01 1.F22 H = 8.149(D), Expected = 8.42, Std = 0.7400, ChiSquare = 7.1420e-01 1.F22 N = 120.277(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.2129e-01 1.D23 H = 8.411(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.8700e-01 1.D23 N = 122.044(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.5439e-01 1.S24 H = 8.352(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2034e-01 1.S24 N = 117.215(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.1681e-01 1.S25 H = 8.512(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.2029e-01 1.S25 N = 118.004(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.6618e-01 1.D26 H = 8.425(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.6763e-01 1.D26 N = 122.200(D), Expected = 120.73, Std = 4.2000, ChiSquare = 7.2634e-01 1.S27 H = 8.366(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.0244e-01 1.S27 N = 116.375(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.8485e-01 1.S28 H = 8.516(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.1547e-01 1.S28 N = 118.021(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.6306e-01 1.S29 H = 8.466(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.7651e-01 1.S29 N = 117.547(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.5223e-01 1.D30 H = 8.458(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.2232e-01 1.D30 N = 122.400(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.9091e-01 1.E31 H = 8.386(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.3989e-01 1.E31 N = 120.578(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.7789e-01 1.E32 H = 8.496(D), Expected = 8.34, Std = 0.6100, ChiSquare = 7.9815e-01 1.E32 N = 121.800(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.6086e-01 1.E33 H = 8.478(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.2102e-01 1.E33 N = 121.713(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.7894e-01 1.S34 H = 8.495(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.4091e-01 1.S34 N = 117.100(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.3950e-01 1.D35 H = 8.512(D), Expected = 8.33, Std = 0.5700, ChiSquare = 7.4950e-01 1.D35 N = 122.522(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.6962e-01 1.T36 H = 8.216(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.3059e-01 1.T36 N = 113.703(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.9251e-01 1.S37 H = 8.396(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.6425e-01 1.S37 N = 119.680(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.9217e-01 1.Q39 H = 8.553(D), Expected = 8.22, Std = 0.6200, ChiSquare = 5.9120e-01 1.Q39 N = 120.438(D), Expected = 119.92, Std = 4.0100, ChiSquare = 8.9722e-01 1.I40 H = 8.255(D), Expected = 8.26, Std = 0.7100, ChiSquare = 9.9438e-01 1.I40 N = 122.366(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.7108e-01 1.M41 H = 8.562(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.1473e-01 1.M41 N = 124.836(D), Expected = 120.10, Std = 3.8800, ChiSquare = 2.2223e-01 1.K42 H = 8.490(D), Expected = 8.22, Std = 0.6400, ChiSquare = 6.7312e-01 1.K42 N = 123.448(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.7774e-01 1.S43 H = 8.466(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.7651e-01 1.S43 N = 116.971(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.6511e-01 1.D44 H = 8.590(D), Expected = 8.33, Std = 0.5700, ChiSquare = 6.4829e-01 1.D44 N = 122.398(D), Expected = 120.73, Std = 4.2000, ChiSquare = 6.9126e-01 1.V45 H = 8.184(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.8132e-01 1.V45 N = 119.791(D), Expected = 121.02, Std = 4.9600, ChiSquare = 8.0430e-01 1.T46 H = 8.380(D), Expected = 8.27, Std = 0.6200, ChiSquare = 8.5918e-01 1.T46 N = 117.650(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.9939e-01 1.M47 H = 8.390(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.2847e-01 1.M47 N = 122.900(D), Expected = 120.10, Std = 3.8800, ChiSquare = 4.7051e-01 1.A48 H = 8.375(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7054e-01 1.A48 N = 125.384(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.6046e-01 1.S49 H = 8.401(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.5791e-01 1.S49 N = 116.807(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.9787e-01 1.S52 H = 8.558(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.6555e-01 1.S52 N = 116.246(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.8909e-01 1.T53 H = 8.286(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.7941e-01 1.T53 N = 118.154(D), Expected = 115.70, Std = 5.0500, ChiSquare = 6.2701e-01 1.E55 H = 8.590(D), Expected = 8.34, Std = 0.6100, ChiSquare = 6.8193e-01 1.E55 N = 122.827(D), Expected = 120.68, Std = 3.6800, ChiSquare = 5.5961e-01 1.S57 H = 8.597(D), Expected = 8.29, Std = 0.6200, ChiSquare = 6.2049e-01 1.S57 N = 117.643(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.3386e-01 1.D59 H = 8.458(D), Expected = 8.33, Std = 0.5700, ChiSquare = 8.2232e-01 1.D59 N = 120.013(D), Expected = 120.73, Std = 4.2000, ChiSquare = 8.6445e-01 1.V60 H = 8.193(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.9133e-01 1.V60 N = 120.519(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1954e-01 1.S61 H = 8.481(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.5803e-01 1.S61 N = 118.859(D), Expected = 116.30, Std = 3.9500, ChiSquare = 5.1708e-01 1.A62 H = 8.377(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6799e-01 1.A62 N = 125.609(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.2024e-01 1.S63 H = 8.349(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.2419e-01 1.S63 N = 114.367(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.2458e-01 1.T64 H = 8.221(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.3701e-01 1.T64 N = 115.198(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.2082e-01 1.S65 H = 8.329(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.4984e-01 1.S65 N = 117.482(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.6476e-01 1.N66 H = 8.527(D), Expected = 8.37, Std = 0.6500, ChiSquare = 8.0914e-01 1.N66 N = 120.659(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.2940e-01 1.L67 H = 8.151(D), Expected = 8.22, Std = 0.6500, ChiSquare = 9.1546e-01 1.L67 N = 121.685(D), Expected = 121.98, Std = 4.0700, ChiSquare = 9.4222e-01 1.K68 H = 8.298(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.0300e-01 1.K68 N = 121.261(D), Expected = 121.16, Std = 4.1100, ChiSquare = 9.8039e-01 1.R69 H = 8.305(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.1373e-01 1.R69 N = 121.773(D), Expected = 120.61, Std = 3.9000, ChiSquare = 7.6555e-01 1.E70 H = 8.470(D), Expected = 8.34, Std = 0.6100, ChiSquare = 8.3124e-01 1.E70 N = 121.319(D), Expected = 120.68, Std = 3.6800, ChiSquare = 8.6215e-01 1.R71 H = 8.501(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.6356e-01 1.R71 N = 122.483(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.3104e-01 1.Q72 H = 8.533(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.1367e-01 1.Q72 N = 121.800(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.3919e-01 1.R73 H = 8.575(D), Expected = 8.24, Std = 0.6000, ChiSquare = 5.7662e-01 1.R73 N = 122.230(D), Expected = 120.61, Std = 3.9000, ChiSquare = 6.7786e-01 1.S74 H = 8.433(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.1759e-01 1.S74 N = 116.326(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.9475e-01 1.I76 H = 8.260(D), Expected = 8.26, Std = 0.7100, ChiSquare = 1.0000e+00 1.I76 N = 120.600(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.3221e-01 1.T77 H = 8.080(D), Expected = 8.27, Std = 0.6200, ChiSquare = 7.5926e-01 1.T77 N = 117.400(D), Expected = 115.70, Std = 5.0500, ChiSquare = 7.3639e-01 1.W78 H = 8.179(D), Expected = 8.35, Std = 0.8400, ChiSquare = 8.3869e-01 1.W78 N = 122.800(D), Expected = 121.87, Std = 4.5800, ChiSquare = 8.3909e-01 1.E79 H = 8.383(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.4380e-01 1.E79 N = 121.700(D), Expected = 120.68, Std = 3.6800, ChiSquare = 7.8165e-01 1.H80 H = 8.310(D), Expected = 8.25, Std = 0.7400, ChiSquare = 9.3538e-01 1.H80 N = 119.100(D), Expected = 119.44, Std = 4.5200, ChiSquare = 9.4004e-01 1.Q81 H = 8.480(D), Expected = 8.22, Std = 0.6200, ChiSquare = 6.7496e-01 1.Q81 N = 120.253(D), Expected = 119.92, Std = 4.0100, ChiSquare = 9.3382e-01 1.S85 H = 8.152(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.2386e-01 1.S85 N = 115.500(D), Expected = 116.30, Std = 3.9500, ChiSquare = 8.3950e-01 1.R86 H = 8.311(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.0580e-01 1.R86 N = 122.700(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.9203e-01 1.V87 H = 8.120(D), Expected = 8.29, Std = 0.7100, ChiSquare = 8.1077e-01 1.V87 N = 120.600(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.3252e-01 1.Y88 H = 8.415(D), Expected = 8.37, Std = 0.7500, ChiSquare = 9.5216e-01 1.Y88 N = 124.600(D), Expected = 120.79, Std = 4.6900, ChiSquare = 4.1658e-01 1.R89 H = 8.165(D), Expected = 8.24, Std = 0.6000, ChiSquare = 9.0052e-01 1.R89 N = 124.000(D), Expected = 120.61, Std = 3.9000, ChiSquare = 3.8472e-01 1.S90 H = 8.447(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.0009e-01 1.S90 N = 119.000(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.9426e-01 1.S92 H = 8.710(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.9814e-01 1.S92 N = 117.500(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.6128e-01 1.M94 H = 8.859(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.1812e-01 1.M94 N = 123.400(D), Expected = 120.10, Std = 3.8800, ChiSquare = 3.9504e-01 1.F96 H = 8.401(D), Expected = 8.42, Std = 0.7400, ChiSquare = 9.7952e-01 1.F96 N = 120.710(D), Expected = 120.69, Std = 4.1800, ChiSquare = 9.9618e-01 1.G97 H = 8.436(D), Expected = 8.34, Std = 0.7400, ChiSquare = 8.9678e-01 1.G97 N = 109.800(D), Expected = 109.91, Std = 4.2900, ChiSquare = 9.7954e-01 1.K98 H = 8.192(D), Expected = 8.22, Std = 0.6400, ChiSquare = 9.6510e-01 1.K98 N = 119.400(D), Expected = 121.16, Std = 4.1100, ChiSquare = 6.6849e-01 1.R99 H = 8.488(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.7936e-01 1.R99 N = 118.534(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.9451e-01 1.R101 H = 8.728(D), Expected = 8.24, Std = 0.6000, ChiSquare = 4.1603e-01 1.R101 N = 121.500(D), Expected = 120.61, Std = 3.9000, ChiSquare = 8.1949e-01 1.I102 H = 8.381(D), Expected = 8.26, Std = 0.7100, ChiSquare = 8.6468e-01 1.I102 N = 122.700(D), Expected = 121.60, Std = 4.7200, ChiSquare = 8.1572e-01 1.S103 H = 8.649(D), Expected = 8.29, Std = 0.6200, ChiSquare = 5.6257e-01 1.S103 N = 120.200(D), Expected = 116.30, Std = 3.9500, ChiSquare = 3.2348e-01 1.S104 H = 8.315(D), Expected = 8.29, Std = 0.6200, ChiSquare = 9.6784e-01 1.S104 N = 118.300(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.1263e-01 1.N105 H = 8.595(D), Expected = 8.37, Std = 0.6500, ChiSquare = 7.2923e-01 1.N105 N = 120.600(D), Expected = 119.13, Std = 4.4200, ChiSquare = 7.3945e-01 1.S106 H = 8.409(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.4779e-01 1.S106 N = 115.975(D), Expected = 116.30, Std = 3.9500, ChiSquare = 9.3443e-01 1.T107 H = 8.325(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.2931e-01 1.T107 N = 115.409(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.5405e-01 1.S108 H = 8.388(D), Expected = 8.29, Std = 0.6200, ChiSquare = 8.7441e-01 1.S108 N = 117.997(D), Expected = 116.30, Std = 3.9500, ChiSquare = 6.6747e-01 1.R109 H = 8.492(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.7449e-01 1.R109 N = 122.905(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.5622e-01 1.S110 H = 8.510(D), Expected = 8.29, Std = 0.6200, ChiSquare = 7.2271e-01 1.S110 N = 117.400(D), Expected = 116.30, Std = 3.9500, ChiSquare = 7.8064e-01 1.C111 H = 8.586(D), Expected = 8.42, Std = 0.6600, ChiSquare = 8.0142e-01 1.C111 N = 120.596(D), Expected = 119.95, Std = 4.7900, ChiSquare = 8.9272e-01 1.K112 H = 8.563(D), Expected = 8.22, Std = 0.6400, ChiSquare = 5.9200e-01 1.K112 N = 123.702(D), Expected = 121.16, Std = 4.1100, ChiSquare = 5.3625e-01 1.T113 H = 8.228(D), Expected = 8.27, Std = 0.6200, ChiSquare = 9.4599e-01 1.T113 N = 115.200(D), Expected = 115.70, Std = 5.0500, ChiSquare = 9.2113e-01 1.S114 H = 8.750(D), Expected = 8.29, Std = 0.6200, ChiSquare = 4.5813e-01 1.S114 N = 119.500(D), Expected = 116.30, Std = 3.9500, ChiSquare = 4.1787e-01 1.W115 H = 8.682(D), Expected = 8.35, Std = 0.8400, ChiSquare = 6.9267e-01 1.W115 N = 123.800(D), Expected = 121.87, Std = 4.5800, ChiSquare = 6.7346e-01 1.A116 H = 8.187(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.8271e-01 1.A116 N = 122.200(D), Expected = 123.23, Std = 3.7000, ChiSquare = 7.8072e-01 1.D117 H = 7.950(D), Expected = 8.33, Std = 0.5700, ChiSquare = 5.0499e-01 1.D117 N = 118.100(D), Expected = 120.73, Std = 4.2000, ChiSquare = 5.3119e-01 1.R118 H = 8.000(D), Expected = 8.24, Std = 0.6000, ChiSquare = 6.8916e-01 1.R118 N = 120.600(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.9795e-01 1.V119 H = 8.090(D), Expected = 8.29, Std = 0.7100, ChiSquare = 7.7818e-01 1.V119 N = 120.500(D), Expected = 121.02, Std = 4.9600, ChiSquare = 9.1650e-01 1.R120 H = 8.119(D), Expected = 8.24, Std = 0.6000, ChiSquare = 8.4018e-01 1.R120 N = 123.100(D), Expected = 120.61, Std = 3.9000, ChiSquare = 5.2317e-01 1.E121 H = 8.390(D), Expected = 8.34, Std = 0.6100, ChiSquare = 9.3467e-01 1.E121 N = 120.824(D), Expected = 120.68, Std = 3.6800, ChiSquare = 9.6879e-01 1.A122 H = 8.223(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6942e-01 1.A122 N = 123.700(D), Expected = 123.23, Std = 3.7000, ChiSquare = 8.9892e-01 1.A123 H = 8.080(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.4148e-01 1.A123 N = 121.200(D), Expected = 123.23, Std = 3.7000, ChiSquare = 5.8325e-01 1.A124 H = 8.033(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8076e-01 1.A124 N = 121.500(D), Expected = 123.23, Std = 3.7000, ChiSquare = 6.4009e-01 1.Q125 H = 8.101(D), Expected = 8.22, Std = 0.6200, ChiSquare = 8.4779e-01 1.Q125 N = 117.900(D), Expected = 119.92, Std = 4.0100, ChiSquare = 6.1444e-01 1.R126 H = 8.075(D), Expected = 8.24, Std = 0.6000, ChiSquare = 7.8332e-01 1.R126 N = 120.197(D), Expected = 120.61, Std = 3.9000, ChiSquare = 9.1566e-01