G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.04 Y 0.02 C Shift Assignments>> C :: 170.2290 CA :: 43.5000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.9100 HA3 :: 3.9100 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7860 CA :: 57.9980 CB :: 63.9790 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.6550 HA :: 4.5050 HB2 :: 3.8870 HB3 :: 3.8360 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 :: 115.7300 Ave N Shift Values>> N :: 116.3(3.95) D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.19 L 0.16 C 0.11 K 0.06 F 0.04 Y 0.03 R 0.02 C Shift Assignments>> CA :: 52.1600 CB :: 41.2600 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 :: 8.4950 HA :: 4.9070 HB2 :: 2.7380 HB3 :: 2.5720 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 :: 123.7520 Ave N Shift Values>> N :: 120.73(4.2) P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.7060 CA :: 63.6720 CB :: 32.0890 CG :: 27.1880 CD :: 50.8540 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 :: 4.4270 HB2 :: 2.2880 HB3 :: 1.9780 HG2 :: 2.0230 HG3 :: 2.0230 HD2 :: 3.8940 HD3 :: 3.8140 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) G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.4940 CA :: 45.4750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5340 HA2 :: 3.9400 HA3 :: 3.9400 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5000 Ave N Shift Values>> N :: 109.91(4.29) Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.24 C 0.24 E 0.11 M 0.07 R 0.05 HN Overlap>> V36 C Shift Assignments>> C :: 176.7260 CA :: 55.8130 CB :: 29.2840 CG :: 33.7730 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 :: 8.1450 HA :: 4.3590 HB2 :: 2.1690 HB3 :: 1.9940 HG2 :: 2.3560 HG3 :: 2.3560 HE21 :: 7.4080 HE22 :: 6.8430 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 :: 119.5530 NE2 :: 112.2630 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 HN Overlap>> G41 C Shift Assignments>> C :: 174.8850 CA :: 45.4600 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5050 HA2 :: 3.9900 HA3 :: 3.5900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.9220 Ave N Shift Values>> N :: 109.91(4.29) G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.1800 CA :: 45.4530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3460 HA2 :: 3.9870 HA3 :: 3.9870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.7300 Ave N Shift Values>> N :: 109.91(4.29) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 HN Overlap>> H26 C Shift Assignments>> C :: 174.6100 CA :: 45.2850 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4740 HA2 :: 4.0170 HA3 :: 4.0170 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.9930 Ave N Shift Values>> N :: 109.91(4.29) T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.7700 CA :: 61.9030 CB :: 69.5020 CG2 :: 21.4470 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 :: 8.1280 HA :: 4.2830 HB :: 4.1730 HG2 :: 1.1570 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 :: 113.4050 Ave N Shift Values>> N :: 115.7(5.05) H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.43 W 0.28 C 0.27 C Shift Assignments>> C :: 174.6360 CA :: 55.2080 CB :: 28.9690 CD2 :: 119.6000 CE1 :: 134.1600 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 :: 8.5570 HA :: 4.7220 HB2 :: 3.2630 HB3 :: 3.1380 HD2 :: 7.2470 HE1 :: 8.4980 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 :: 120.5780 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> H92 C Shift Assignments>> C :: 174.5650 CA :: 58.5450 CB :: 63.5320 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.2950 HA :: 4.3890 HB2 :: 3.8370 HB3 :: 3.7560 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 :: 116.8280 Ave N Shift Values>> N :: 116.3(3.95) Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.08 M 0.07 R 0.07 HN Overlap>> K21 C Shift Assignments>> C :: 175.6910 CA :: 55.9690 CB :: 29.1310 CG :: 33.4720 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 :: 8.4890 HA :: 4.2910 HB2 :: 1.9610 HB3 :: 1.8650 HG2 :: 2.1640 HG3 :: 2.1640 HE21 :: 7.4690 HE22 :: 6.8390 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 :: 122.0310 NE2 :: 112.4600 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.42 H 0.03 C Shift Assignments>> C :: 175.7840 CA :: 57.0160 CB :: 29.5520 CD1 :: 126.9500 CE3 :: 120.7000 CZ2 :: 114.4000 CZ3 :: 121.8000 CH2 :: 124.4700 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 :: 8.1120 HA :: 4.6840 HB2 :: 3.3060 HB3 :: 3.2020 HD1 :: 7.2450 HE1 :: 10.1160 HE3 :: 7.6070 HZ2 :: 7.4620 HZ3 :: 7.1280 HH2 :: 7.2170 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 :: 121.6330 NE1 :: 129.2870 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.18 C 0.15 Y 0.06 F 0.05 L 0.03 HN Overlap>> R63 C Shift Assignments>> C :: 174.2620 CA :: 52.6490 CB :: 38.7810 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 :: 8.1160 HA :: 4.6160 HB3 :: 2.5620 HD21 :: 6.8340 HD22 :: 7.4810 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 :: 120.5150 ND2 :: 111.9420 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.31 R 0.16 M 0.04 C Shift Assignments>> C :: 176.7000 CA :: 54.1470 CB :: 32.5200 CG :: 24.2800 CD :: 29.1240 CE :: 41.9430 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 :: 7.9980 HA :: 4.4580 HB2 :: 1.7730 HB3 :: 1.6460 HG2 :: 1.4050 HG3 :: 1.3690 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9580 HE3 :: 2.9580 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 :: 122.6040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.9390 CA :: 63.1920 CB :: 32.2450 CG :: 27.3910 CD :: 50.6960 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 :: 4.4450 HB2 :: 2.3030 HB3 :: 1.9150 HG2 :: 2.0350 HG3 :: 2.0350 HD2 :: 3.7790 HD3 :: 3.6290 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) S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> N88 H92 C Shift Assignments>> C :: 174.1390 CA :: 58.1140 CB :: 64.0910 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4420 HA :: 4.4470 HB2 :: 3.8750 HB3 :: 3.8200 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 :: 116.8590 Ave N Shift Values>> N :: 116.3(3.95) K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.33 R 0.12 M 0.04 C Shift Assignments>> C :: 174.4000 CA :: 54.1560 CB :: 32.7130 CG :: 24.6130 CD :: 29.1440 CE :: 41.7180 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 :: 8.3360 HA :: 4.6290 HB2 :: 1.8280 HB3 :: 1.7200 HG2 :: 1.4620 HG3 :: 1.4620 HD2 :: 1.6950 HD3 :: 1.6950 HE2 :: 2.9930 HE3 :: 2.9930 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 :: 124.1040 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 174.8260 CA :: 63.1500 CB :: 32.2410 CG :: 27.3350 CD :: 50.7400 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 :: 4.4240 HB2 :: 2.2950 HB3 :: 1.9070 HG2 :: 2.0300 HG3 :: 2.0300 HD2 :: 3.8410 HD3 :: 3.6490 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) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 M 0.03 HN Overlap>> Q13 C Shift Assignments>> C :: 176.8560 CA :: 56.3060 CB :: 32.9010 CG :: 24.8960 CD :: 29.0290 CE :: 41.9420 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 :: 8.5380 HA :: 4.3480 HB2 :: 1.8640 HB3 :: 1.7710 HG2 :: 1.5120 HG3 :: 1.4530 HD2 :: 1.7080 HD3 :: 1.7080 HE2 :: 3.0080 HE3 :: 3.0150 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 :: 122.0690 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.9940 CA :: 61.5850 CB :: 69.8590 CG2 :: 21.2400 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 :: 8.1550 HA :: 4.3340 HB :: 4.1810 HG2 :: 1.1860 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 :: 115.2120 Ave N Shift Values>> N :: 115.7(5.05) N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.18 C 0.16 Y 0.07 F 0.06 L 0.03 E 0.01 C Shift Assignments>> C :: 175.0890 CA :: 53.0250 CB :: 38.7360 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 :: 8.5550 HA :: 4.7240 HB2 :: 2.8390 HB3 :: 2.7650 HD21 :: 7.6040 HD22 :: 6.9060 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 :: 121.2990 ND2 :: 112.5870 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.36 A 0.2 HN Overlap>> Y64 C Shift Assignments>> C :: 176.1190 CA :: 55.6280 CB :: 32.8890 CG :: 32.0220 CE :: 19.2580 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 :: 8.3600 HA :: 4.4500 HB2 :: 2.0660 HB3 :: 1.9660 HG2 :: 2.5730 HG3 :: 2.5100 HE :: 1.3930 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 :: 121.2740 Ave N Shift Values>> N :: 120.1(3.88) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.03 C Shift Assignments>> C :: 176.2460 CA :: 56.3470 CB :: 32.8830 CG :: 24.8440 CD :: 29.0130 CE :: 41.9000 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 :: 8.3150 HA :: 4.2470 HB3 :: 1.7440 HG2 :: 1.4150 HG3 :: 1.3540 HD2 :: 1.6630 HD3 :: 1.6630 HE2 :: 2.9790 HE3 :: 2.9790 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 :: 122.2180 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.46 C 0.3 W 0.22 HN Overlap>> G9 C Shift Assignments>> C :: 174.4210 CA :: 55.2210 CB :: 29.0070 CD2 :: 118.7000 CE1 :: 134.1600 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 :: 8.4990 HA :: 4.6670 HB2 :: 3.2280 HB3 :: 3.1360 HD2 :: 7.2330 HE1 :: 8.5760 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 :: 119.8970 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) M27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.37 A 0.15 C Shift Assignments>> C :: 175.6810 CA :: 55.3090 CB :: 33.0620 CG :: 31.9980 CE :: 16.9860 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 :: 8.4170 HA :: 4.4800 HB2 :: 2.0730 HB3 :: 1.9640 HG2 :: 2.5800 HG3 :: 2.5080 HE :: 2.0890 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 :: 122.6340 Ave N Shift Values>> N :: 120.1(3.88) A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 C Shift Assignments>> C :: 178.0840 CA :: 52.7280 CB :: 19.3800 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.4370 HA :: 4.3300 HB :: 1.4080 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.7420 Ave N Shift Values>> N :: 123.23(3.7) G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.9420 CA :: 45.2530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4110 HA2 :: 3.9500 HA3 :: 3.9000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5380 Ave N Shift Values>> N :: 109.91(4.29) A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 L 0.01 C Shift Assignments>> C :: 177.6610 CA :: 52.5770 CB :: 19.4790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1590 HA :: 4.3120 HB :: 1.3890 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.8310 Ave N Shift Values>> N :: 123.23(3.7) A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.02 HN Overlap>> A33 C Shift Assignments>> C :: 177.5870 CA :: 52.5080 CB :: 19.2330 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2990 HA :: 4.2930 HB :: 1.3870 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.1670 Ave N Shift Values>> N :: 123.23(3.7) A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 HN Overlap>> A33 C Shift Assignments>> C :: 177.5370 CA :: 52.4290 CB :: 19.2780 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2140 HA :: 4.2900 HB :: 1.3840 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2480 Ave N Shift Values>> N :: 123.23(3.7) A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.21 C 0.02 HN Overlap>> A31 A32 C Shift Assignments>> C :: 178.1970 CA :: 52.7150 CB :: 19.2550 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2490 HA :: 4.3110 HB :: 1.4000 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.2540 Ave N Shift Values>> N :: 123.23(3.7) G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.6550 CA :: 45.2400 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2790 HA2 :: 3.9600 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.9060 Ave N Shift Values>> N :: 109.91(4.29) A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 177.5140 CA :: 52.1840 CB :: 19.5980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0960 HA :: 4.3860 HB :: 1.3610 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.5270 Ave N Shift Values>> N :: 123.23(3.7) V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 HN Overlap>> Q6 C Shift Assignments>> C :: 176.3320 CA :: 62.2030 CB :: 32.7780 CG1 :: 20.8260 CG2 :: 21.3510 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 :: 8.1440 HA :: 4.1540 HB :: 2.0190 HG1 :: 0.9100 HG2 :: 0.8620 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 :: 119.6620 Ave N Shift Values>> N :: 121.02(4.96) V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 176.6500 CA :: 62.2450 CB :: 32.4880 CG1 :: 21.2000 CG2 :: 20.8000 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 :: 8.2860 HA :: 4.1010 HB :: 1.9960 HG1 :: 0.9010 HG2 :: 0.9010 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 :: 124.7500 Ave N Shift Values>> N :: 121.02(4.96) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.7260 CA :: 45.4730 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6030 HA2 :: 3.9600 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.4920 Ave N Shift Values>> N :: 109.91(4.29) G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.2740 CA :: 45.4420 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2870 HA2 :: 3.9600 HA3 :: 3.9600 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.3960 Ave N Shift Values>> N :: 109.91(4.29) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.26 R 0.05 G 0.03 A 0.02 HN Overlap>> H55 C Shift Assignments>> C :: 177.7940 CA :: 54.7050 CB :: 42.5740 CG :: 26.9630 CD1 :: 24.6640 CD2 :: 23.5570 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 :: 8.2050 HA :: 4.3940 HB2 :: 1.6280 HB3 :: 1.5560 HG :: 1.5130 HD1 :: 0.7000 HD2 :: 0.6010 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 :: 121.9010 Ave N Shift Values>> N :: 121.98(4.07) G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 HN Overlap>> G7 C Shift Assignments>> C :: 174.6030 CA :: 46.2000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.5310 HA2 :: 3.9600 HA3 :: 3.8700 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.8470 Ave N Shift Values>> N :: 109.91(4.29) G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 173.7810 CA :: 44.9910 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.3470 HA2 :: 3.9100 HA3 :: 3.7450 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9480 Ave N Shift Values>> N :: 109.91(4.29) Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.5280 CA :: 57.8430 CB :: 40.2080 CD1 :: 132.7300 CE1 :: 117.8600 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 :: 7.7510 HA :: 4.4950 HB3 :: 2.8780 HD1 :: 6.8490 HE1 :: 6.6800 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 :: 117.5570 Ave N Shift Values>> N :: 120.79(4.69) M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.32 C 0.27 HN Overlap>> M81 C Shift Assignments>> C :: 173.0750 CA :: 53.5650 CB :: 34.5610 CG :: 32.2240 CE :: 17.1730 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 :: 9.0270 HA :: 4.5460 HB2 :: 1.5580 HB3 :: 0.9110 HG2 :: 2.2230 HG3 :: 2.2230 HE :: 2.0010 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 :: 120.8900 Ave N Shift Values>> N :: 120.1(3.88) L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.19 G 0.18 C 0.16 R 0.02 C Shift Assignments>> C :: 178.1480 CA :: 53.2270 CB :: 43.7050 CG :: 26.2130 CD1 :: 25.6640 CD2 :: 21.8820 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 :: 8.0890 HA :: 4.5240 HB2 :: 1.5990 HB3 :: 0.9790 HG :: 1.3770 HD1 :: 0.6130 HD2 :: 0.0220 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 :: 121.3680 Ave N Shift Values>> N :: 121.98(4.07) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.8380 CA :: 44.7360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.3760 HA2 :: 4.4290 HA3 :: 4.0160 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.9240 Ave N Shift Values>> N :: 109.91(4.29) S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.0870 CA :: 58.3670 CB :: 63.9890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.3870 HA :: 4.4210 HB2 :: 3.9720 HB3 :: 3.9100 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 :: 113.7210 Ave N Shift Values>> N :: 116.3(3.95) A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.02 C Shift Assignments>> C :: 177.4560 CA :: 53.0090 CB :: 18.4940 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7710 HA :: 4.4440 HB :: 1.2880 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.5540 Ave N Shift Values>> N :: 123.23(3.7) M49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 C 0.32 M 0.22 I 0.01 C Shift Assignments>> C :: 175.5270 CA :: 53.9210 CB :: 36.6630 CG :: 31.2610 CE :: 17.6510 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 :: 8.7150 HA :: 4.7370 HB2 :: 2.0310 HB3 :: 1.9930 HG2 :: 2.4850 HG3 :: 2.4350 HE :: 2.1690 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 :: 120.8330 Ave N Shift Values>> N :: 120.1(3.88) S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.4150 CA :: 58.5740 CB :: 63.1960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4470 HA :: 4.3650 HB2 :: 3.8300 HB3 :: 3.7520 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 :: 116.2920 Ave N Shift Values>> N :: 116.3(3.95) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.14 C 0.12 R 0.12 W 0.11 K 0.11 E 0.1 M 0.06 L 0.01 C Shift Assignments>> C :: 174.7000 CA :: 54.8000 CB :: 29.7190 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 :: 8.6560 HA :: 4.4300 HB2 :: 1.7440 HE :: 7.0840 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 :: 126.6110 NE :: 115.0400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 175.6380 CA :: 62.3690 CB :: 32.3770 CG :: 27.3750 CD :: 50.6090 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 :: 4.4400 HB2 :: 2.3010 HB3 :: 1.7530 HG2 :: 2.0580 HG3 :: 2.0360 HD2 :: 3.9450 HD3 :: 3.9450 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) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.2000 CA :: 60.9130 CB :: 36.2550 CG1 :: 27.2570 CG2 :: 17.4830 CD1 :: 11.3790 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 :: 8.6600 HA :: 4.1510 HB :: 1.9190 HG2 :: 0.7370 HG12 :: 1.5910 HG13 :: 1.3920 HD1 :: 0.9020 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 :: 122.5050 Ave N Shift Values>> N :: 121.6(4.72) I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 A 0.01 C Shift Assignments>> C :: 173.2600 CA :: 58.8000 CB :: 39.3930 CG1 :: 26.7140 CG2 :: 17.3170 CD1 :: 12.5800 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 :: 6.4440 HA :: 3.9290 HB :: 0.8680 HG2 :: -0.0300 HG12 :: 0.9070 HG13 :: 0.7760 HD1 :: 0.4770 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 :: 126.7620 Ave N Shift Values>> N :: 121.6(4.72) H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.47 C 0.26 W 0.25 HN Overlap>> L40 C Shift Assignments>> C :: 174.6900 CA :: 54.0620 CB :: 29.5110 CD2 :: 119.5600 CE1 :: 134.1600 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 :: 8.2430 HA :: 4.9390 HB2 :: 3.3180 HB3 :: 2.9460 HD2 :: 7.2470 HE1 :: 8.4890 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 :: 121.8900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.36 C 0.2 C Shift Assignments>> C :: 176.7610 CA :: 59.3850 CB :: 41.4670 CD1 :: 131.8000 CE1 :: 131.1000 CZ :: 129.0000 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 :: 10.3050 HA :: 4.3540 HB2 :: 3.3580 HB3 :: 2.8040 HD1 :: 7.3352 HE1 :: 6.8970 HZ :: 6.6700 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 :: 124.0260 Ave N Shift Values>> N :: 120.69(4.18) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 173.5300 CA :: 45.5110 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.0140 HA2 :: 4.1910 HA3 :: 3.8220 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.6080 Ave N Shift Values>> N :: 109.91(4.29) S58 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 :: 173.9060 CA :: 56.5590 CB :: 65.7440 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.3260 HA :: 4.8060 HB2 :: 4.1220 HB3 :: 3.9340 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 :: 111.7460 Ave N Shift Values>> N :: 116.3(3.95) D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 C 0.15 K 0.12 L 0.11 D 0.08 I 0.05 R 0.02 N 0.01 C Shift Assignments>> C :: 178.5720 CA :: 57.5360 CB :: 40.6690 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 :: 9.0490 HA :: 4.5060 HB3 :: 2.7550 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 :: 124.4200 Ave N Shift Values>> N :: 120.73(4.2) Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 177.9880 CA :: 61.2880 CB :: 38.1960 CD1 :: 133.0200 CE1 :: 117.6900 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 :: 8.5900 HA :: 4.2090 HB2 :: 3.2650 HB3 :: 2.8510 HD1 :: 7.0690 HE1 :: 6.7640 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 :: 118.8880 Ave N Shift Values>> N :: 120.79(4.69) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.38 E 0.19 M 0.01 C Shift Assignments>> C :: 177.6320 CA :: 59.8550 CB :: 30.0550 CG :: 38.2430 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 :: 7.7460 HA :: 3.5860 HB2 :: 1.9770 HB3 :: 1.5670 HG2 :: 2.2640 HG3 :: 1.8780 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 :: 119.1180 Ave N Shift Values>> N :: 120.68(3.68) D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.1 K 0.07 L 0.06 D 0.04 R 0.01 HN Overlap>> D82 C Shift Assignments>> C :: 179.2710 CA :: 58.4740 CB :: 40.3770 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 :: 8.2260 HA :: 4.6890 HB2 :: 3.0310 HB3 :: 2.8780 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 :: 119.8860 Ave N Shift Values>> N :: 120.73(4.2) R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.06 HN Overlap>> N15 C Shift Assignments>> C :: 177.6930 CA :: 59.6270 CB :: 29.9470 CG :: 27.8080 CD :: 43.5200 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 :: 8.2070 HA :: 4.0220 HB3 :: 1.9170 HG2 :: 1.7560 HG3 :: 1.5470 HD2 :: 3.2220 HD3 :: 3.2220 HE :: 7.5100 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 :: 120.4570 NE :: 115.3300 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 HN Overlap>> M24 C Shift Assignments>> C :: 179.5750 CA :: 62.1350 CB :: 38.1680 CD1 :: 133.1500 CE1 :: 117.8000 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 :: 8.3310 HA :: 3.8390 HB2 :: 2.8800 HB3 :: 2.6160 HD1 :: 6.9500 HE1 :: 6.8640 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 :: 121.2120 Ave N Shift Values>> N :: 120.79(4.69) Y65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 177.0620 CA :: 62.9090 CB :: 38.1430 CD1 :: 133.3000 CE1 :: 117.8900 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 :: 8.9830 HA :: 4.1270 HB2 :: 3.5580 HB3 :: 3.2680 HD1 :: 7.5440 HE1 :: 7.0080 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 :: 120.5070 Ave N Shift Values>> N :: 120.79(4.69) R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.09 G 0.08 HN Overlap>> Y141 C Shift Assignments>> C :: 179.5460 CA :: 59.8170 CB :: 29.9210 CG :: 28.3130 CD :: 43.2790 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 :: 7.9450 HA :: 3.9360 HB2 :: 2.0860 HB3 :: 1.9710 HG2 :: 2.0410 HG3 :: 1.7530 HD2 :: 3.3820 HD3 :: 3.2920 HE :: 7.5090 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 :: 117.9860 NE :: 114.3000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.1 K 0.07 M 0.06 Q 0.03 C Shift Assignments>> C :: 177.3870 CA :: 57.9770 CB :: 29.9860 CG :: 36.3810 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 :: 8.0870 HA :: 4.0740 HB3 :: 1.8890 HG2 :: 2.4330 HG3 :: 2.2150 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 :: 116.5370 Ave N Shift Values>> N :: 120.68(3.68) N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.08 R 0.03 C Shift Assignments>> C :: 175.5900 CA :: 54.7110 CB :: 41.1080 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 :: 7.5830 HA :: 4.3400 HB2 :: 2.1650 HB3 :: 2.1650 HD21 :: 6.8000 HD22 :: 6.5800 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 :: 114.6860 ND2 :: 117.1470 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.33 HN Overlap>> Y140 C Shift Assignments>> C :: 176.2620 CA :: 59.1600 CB :: 30.2550 CG :: 30.6290 CE :: 17.5980 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 :: 8.0570 HA :: 3.4380 HB2 :: 1.6620 HB3 :: 1.3430 HG2 :: 2.5420 HG3 :: 2.1630 HE :: 2.0390 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 :: 119.3800 Ave N Shift Values>> N :: 120.1(3.88) H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.42 C 0.33 W 0.24 C Shift Assignments>> C :: 175.3370 CA :: 57.5150 CB :: 27.9390 CD2 :: 118.7000 CE1 :: 134.1600 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 :: 8.0330 HA :: 4.2290 HB2 :: 3.2760 HB3 :: 3.0220 HD2 :: 7.2050 HE1 :: 8.3690 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 :: 115.5890 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.13 K 0.05 C Shift Assignments>> C :: 176.5230 CA :: 56.2530 CB :: 30.5650 CG :: 27.3100 CD :: 43.8610 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 :: 7.5490 HA :: 4.1390 HB2 :: 2.1150 HB3 :: 1.3920 HG2 :: 1.3810 HG3 :: 0.2920(S) HD2 :: 3.2540 HD3 :: 3.0900 HE :: 7.5330 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 :: 118.6190 NE :: 114.4400 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Y72 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 S 0.03 C Shift Assignments>> C :: 172.9000 CA :: 52.6270 CB :: 34.9260 CD1 :: 65.4100(M) CE1 :: 73.1000(M) 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 :: 7.4670 HA :: 5.0050 HB3 :: 3.1140 HD1 :: 6.8740 HE1 :: 6.5570 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 :: 121.2200 Ave N Shift Values>> N :: 120.79(4.69) P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 175.1200 CA :: 63.6970 CB :: 32.2400 CG :: 27.2360 CD :: 49.8300 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 :: 4.3690 HB2 :: 2.4310 HB3 :: 1.6500 HG2 :: 1.5240 HG3 :: 1.2360 HD2 :: 3.1710 HD3 :: 3.0670 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) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.17 D 0.13 Y 0.05 F 0.04 L 0.01 E 0.01 C Shift Assignments>> C :: 172.8480 CA :: 52.0070 CB :: 38.3860 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 :: 8.6490 HA :: 4.7090 HB2 :: 3.6170 HB3 :: 2.4570 HD21 :: 7.4760 HD22 :: 6.7850 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 :: 116.5360 ND2 :: 109.2240 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.43 Q 0.07 E 0.04 C Shift Assignments>> C :: 174.8960 CA :: 54.0910 CB :: 33.3790 CG :: 33.9540 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 :: 7.3110 HA :: 4.5450 HB2 :: 1.9960 HB3 :: 1.7180 HG2 :: 2.1650 HG3 :: 2.0310 HE21 :: 7.9220 HE22 :: 6.9820 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 :: 114.1190 NE2 :: 112.5530 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.13 I 0.03 A 0.02 C Shift Assignments>> C :: 174.0820 CA :: 58.6100 CB :: 33.8710 CG1 :: 23.6120 CG2 :: 18.5320 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 :: 8.5130 HA :: 4.9340 HB :: 2.6170 HG1 :: 0.9470 HG2 :: 0.7670 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 :: 112.7480 Ave N Shift Values>> N :: 121.02(4.96) Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.39 G 0.01 HN Overlap>> Y133 C Shift Assignments>> C :: 174.4530 CA :: 56.8960 CB :: 42.0730 CD1 :: 132.6600 CE1 :: 118.2200 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 :: 8.5080 HA :: 5.5480 HB2 :: 2.6040 HB3 :: 2.5760 HD1 :: 6.9170 HE1 :: 6.7700 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 :: 121.4260 Ave N Shift Values>> N :: 120.79(4.69) Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> CA :: 55.6920 CB :: 40.3640 CD1 :: 133.6000 CE1 :: 117.8000 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 :: 8.5960 HA :: 4.7910 HB3 :: 2.6450 HD1 :: 7.0240 HE1 :: 6.4770 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 :: 111.1720 Ave N Shift Values>> N :: 120.79(4.69) R79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.3 G 0.11 K 0.07 L 0.01 C Shift Assignments>> CA :: 53.0700 CB :: 30.1010 CG :: 27.4520 CD :: 43.2140 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>> HA :: 4.6300 HB2 :: 1.6500 HB3 :: 1.6500 HG2 :: 1.1600 HG3 :: 1.1600 HD2 :: 2.8800 HD3 :: 2.8800 HE :: 6.7100 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>> NE :: 115.9100 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 P 0.35 C Shift Assignments>> CA :: 63.4110 CB :: 34.4260 CG :: 24.6710 CD :: 50.1950 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 :: 4.8240 HB2 :: 2.3340 HB3 :: 2.1560 HG2 :: 1.9490 HG3 :: 1.8430 HD2 :: 3.5960 HD3 :: 3.4980 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) M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 M 0.28 I 0.19 A 0.05 HN Overlap>> M44 C Shift Assignments>> CA :: 57.0810 CB :: 29.5340 CE :: 17.0340 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 :: 8.9790 HA :: 4.7000 HB2 :: 1.7960 HB3 :: 1.5350 HG2 :: 3.3150 HG3 :: 3.1980 HE :: 1.6120 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 :: 120.9030 Ave N Shift Values>> N :: 120.1(3.88) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.18 C 0.16 Y 0.08 F 0.06 L 0.03 E 0.01 HN Overlap>> D62 C Shift Assignments>> C :: 173.8500 CA :: 53.1610 CB :: 38.7210 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 :: 8.1860 HA :: 4.5800 HB2 :: 2.5900 HB3 :: 2.5340 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 :: 119.8590 Ave N Shift Values>> N :: 120.73(4.2) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.24 Q 0.19 K 0.15 H 0.04 R 0.03 W 0.03 E 0.01 N 0.01 C Shift Assignments>> C :: 174.4000 CA :: 53.8000 CB :: 33.9000 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 :: 7.8170 HA :: 4.4300 HB2 :: 1.7060 HB3 :: 1.6410 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 :: 120.2370 Ave N Shift Values>> N :: 120.68(3.68) Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.21 K 0.19 Y 0.16 C 0.14 L 0.11 R 0.05 I 0.05 D 0.05 C Shift Assignments>> C :: 173.8000 CA :: 58.2000 CB :: 41.3000 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>> HA :: 4.5200 HB2 :: 2.6120 HB3 :: 2.6120 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) S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.0090 CA :: 58.4750 CB :: 64.1130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.4790 HB2 :: 3.8430 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) N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.29 C 0.12 L 0.07 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 174.2900 CA :: 52.3320 CB :: 39.9240 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 :: 8.2460 HA :: 4.7730 HB2 :: 3.1260 HB3 :: 3.0470 HD21 :: 7.5630 HD22 :: 6.7290 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 :: 122.0850 ND2 :: 113.3060 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.24 Q 0.21 E 0.08 R 0.07 M 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 176.9100 CA :: 59.5350 CB :: 28.9220 CG :: 33.4190 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 :: 8.6830 HA :: 3.5230 HB3 :: 2.9360 HE21 :: 6.9560 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 :: 120.3490 NE2 :: 110.8650 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.12 N 0.08 I 0.05 D 0.05 M 0.02 L 0.01 HN Overlap>> S18 C Shift Assignments>> C :: 177.9000 CA :: 56.4210 CB :: 37.9010 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 :: 8.3820 HA :: 4.2500 HB2 :: 2.7470 HB3 :: 2.6730 HD21 :: 6.9600 HD22 :: 7.5940 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 :: 116.9120 ND2 :: 112.7370 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.19 N 0.13 F 0.13 E 0.11 D 0.06 I 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 177.2000 CA :: 55.8410 CB :: 37.8770 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 :: 8.6430 HA :: 4.5590 HB2 :: 3.0760 HB3 :: 2.9310 HD21 :: 7.6920 HD22 :: 7.1290 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 :: 118.4740 ND2 :: 112.2210 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F90 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.38 C 0.31 F 0.3 C Shift Assignments>> C :: 177.3230 CA :: 61.9150 CB :: 37.1100 CD1 :: 131.8000 CE1 :: 130.5000 CZ :: 131.2000 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>> HA :: 2.9950 HB2 :: 3.1130 HB3 :: 2.7330 HD1 :: 7.3000 HE1 :: 7.6700 HZ :: 6.6900 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) SRO Rule Breaks>> (HA > HB2 : 0.9952) V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 67.6780 CB :: 31.7700 CG1 :: 24.6270 CG2 :: 21.8390 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 :: 8.9580 HA :: 3.5170 HB :: 2.2440 HG1 :: 1.0760 HG2 :: 1.0380 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 :: 120.2350 Ave N Shift Values>> N :: 121.02(4.96) H92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.33 C 0.31 HN Overlap>> S12 S18 Q101 C Shift Assignments>> CA :: 59.4220 CB :: 28.5260 CD2 :: 119.7000 CE1 :: 134.1600 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 :: 8.3600 HA :: 4.3270 HB2 :: 3.3890 HB3 :: 3.3470 HD2 :: 7.3990 HE1 :: 8.6200 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 :: 116.7900 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 K 0.18 Y 0.15 C 0.14 L 0.13 D 0.08 R 0.04 I 0.03 N 0.01 C Shift Assignments>> C :: 176.0600 CA :: 57.4310 CB :: 41.1230 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 :: 7.7400 HA :: 4.5580 HB2 :: 2.9610 HB3 :: 2.8590 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 :: 118.6590 Ave N Shift Values>> N :: 120.73(4.2) C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 C 0.17 I 0.1 K 0.08 L 0.07 D 0.04 R 0.01 HN Overlap>> Y140 C Shift Assignments>> C :: 177.3690 CA :: 58.5880 CB :: 40.4930 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.0740 HA :: 4.7500 HB2 :: 3.3670 HB3 :: 2.9850 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 :: 119.2160 Ave N Shift Values>> N :: 119.95(4.79) V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.2310 CA :: 66.1580 CB :: 32.0130 CG1 :: 23.5220 CG2 :: 21.7800 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 :: 9.1530 HA :: 3.6680 HB :: 2.1790 HG1 :: 1.0870 HG2 :: 0.9730 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 :: 124.9840 Ave N Shift Values>> N :: 121.02(4.96) N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.22 F 0.19 D 0.09 N 0.08 I 0.05 E 0.04 L 0.04 C Shift Assignments>> C :: 178.5750 CA :: 56.4570 CB :: 38.7910 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 :: 7.6460 HA :: 4.3230 HB2 :: 2.8760 HB3 :: 2.7960 HD21 :: 6.7800 HD22 :: 7.6640 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 :: 116.2820 ND2 :: 112.0750 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 177.7690 CA :: 62.2480 CB :: 36.6720 CG1 :: 27.5620 CG2 :: 18.4260 CD1 :: 11.6330 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 :: 8.7160 HA :: 3.7650 HB :: 1.5990 HG2 :: 0.2920 HG12 :: 0.8900 HG13 :: 0.8900 HD1 :: 0.4380 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 :: 118.8990 Ave N Shift Values>> N :: 121.6(4.72) T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 HN Overlap>> M120 C Shift Assignments>> C :: 177.4900 CA :: 68.6990 CB :: 68.1140 CG2 :: 22.2120 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 :: 8.1950 HA :: 4.0800 HB :: 4.4940 HG2 :: 1.4800 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 :: 118.2780 Ave N Shift Values>> N :: 115.7(5.05) I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.8810 CA :: 65.9960 CB :: 36.8840 CG1 :: 30.2220 CG2 :: 16.8090 CD1 :: 13.2150 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 :: 8.4930 HA :: 3.6860 HB :: 2.0770 HG2 :: 0.8800 HG12 :: 1.1290 HG13 :: 1.8670 HD1 :: 0.7790 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 :: 120.8740 Ave N Shift Values>> N :: 121.6(4.72) K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.13 M 0.01 C Shift Assignments>> C :: 178.9440 CA :: 59.9810 CB :: 32.2660 CG :: 24.6320 CD :: 29.1520 CE :: 41.6790 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 :: 8.0610 HA :: 4.0550 HB3 :: 1.9240 HG2 :: 1.4910 HG3 :: 1.3850 HD2 :: 1.6300 HD3 :: 1.6300 HE2 :: 2.9070 HE3 :: 2.9070 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 :: 123.2640 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.24 R 0.1 E 0.07 M 0.02 I 0.01 HN Overlap>> H92 C Shift Assignments>> C :: 178.4380 CA :: 58.0220 CB :: 27.9360 CG :: 33.5820 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 :: 8.4630 HA :: 4.0460 HB2 :: 1.9760 HB3 :: 1.9090 HG2 :: 2.0650 HG3 :: 1.6500 HE21 :: 6.8240 HE22 :: 6.7140 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 :: 116.7470 NE2 :: 109.8710 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 H 0.35 W 0.19 HN Overlap>> V124 C Shift Assignments>> C :: 177.9120 CA :: 59.2220 CB :: 31.4620 CD2 :: 118.0500 CE1 :: 134.1600 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 :: 8.3750 HA :: 4.5930 HB2 :: 3.3450 HB3 :: 3.1900 HD2 :: 6.9800 HE1 :: 7.9300 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 :: 119.0620 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.2240 CA :: 65.7940 CB :: 68.9120 CG2 :: 21.3080 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 :: 8.3610 HA :: 4.1320 HB :: 4.4550 HG2 :: 1.2540 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 :: 114.1850 Ave N Shift Values>> N :: 115.7(5.05) V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 178.1380 CA :: 65.5880 CB :: 31.9680 CG1 :: 21.8800 CG2 :: 20.9750 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 :: 8.0490 HA :: 3.9570 HB :: 2.2300 HG1 :: 1.0580 HG2 :: 0.9710 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 :: 122.7070 Ave N Shift Values>> N :: 121.02(4.96) T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.3710 CA :: 64.8250 CB :: 69.3780 CG2 :: 21.8520 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 :: 8.1310 HA :: 4.1770 HB :: 4.2800 HG2 :: 1.2930 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 :: 115.0830 Ave N Shift Values>> N :: 115.7(5.05) T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.7450 CA :: 64.4270 CB :: 68.8660 CG2 :: 21.5290 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 :: 8.0240 HA :: 4.1450 HB :: 4.1290 HG2 :: 0.9800 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 :: 114.4480 Ave N Shift Values>> N :: 115.7(5.05) T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 177.3310 CA :: 64.6540 CB :: 68.9680 CG2 :: 21.4360 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 :: 8.2130 HA :: 4.3750 HB :: 4.3670 HG2 :: 1.3210 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 :: 117.6430 Ave N Shift Values>> N :: 115.7(5.05) T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.0860 CA :: 64.0770 CB :: 69.0110 CG2 :: 21.7430 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 :: 7.8570 HA :: 4.2220 HB :: 4.3090 HG2 :: 1.2900 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 :: 116.1100 Ave N Shift Values>> N :: 115.7(5.05) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.2 M 0.04 HN Overlap>> Q138 C Shift Assignments>> C :: 176.8230 CA :: 56.2830 CB :: 32.4180 CG :: 24.6320 CD :: 29.1560 CE :: 42.1320 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 :: 7.6450 HA :: 4.3920 HB2 :: 2.0030 HB3 :: 1.8510 HG2 :: 1.5010 HG3 :: 1.5010 HD2 :: 1.6800 HD3 :: 1.6800 HE2 :: 2.9750 HE3 :: 2.9750 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 :: 120.3000 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.2560 CA :: 45.3780 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9970 HA2 :: 4.1240 HA3 :: 3.8280 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.2810 Ave N Shift Values>> N :: 109.91(4.29) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 M 0.2 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 175.1340 CA :: 55.8750 CB :: 31.0870 CG :: 35.8500 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 :: 7.5740 HA :: 4.2510 HB2 :: 1.6090 HB3 :: 1.5790 HG2 :: 2.0770 HG3 :: 1.9580 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 :: 120.1000 Ave N Shift Values>> N :: 120.68(3.68) N112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.25 L 0.12 C 0.11 F 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 173.8390 CA :: 52.6540 CB :: 40.5700 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 :: 8.5020 HA :: 4.6610 HB2 :: 2.6540 HB3 :: 2.6040 HD21 :: 7.5520 HD22 :: 6.7930 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 :: 119.6710 ND2 :: 113.1330 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.33 C 0.29 C Shift Assignments>> C :: 176.6810 CA :: 56.6610 CB :: 40.0190 CD1 :: 131.0000 CE1 :: 130.5000 CZ :: 131.3000 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 :: 8.7030 HA :: 5.3090 HB2 :: 3.1520 HB3 :: 2.9460 HD1 :: 7.3500 HE1 :: 7.4600 HZ :: 7.0700 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 :: 121.8200 Ave N Shift Values>> N :: 120.69(4.18) T114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 175.5600 CA :: 60.3370 CB :: 72.1620 CG2 :: 21.6620 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 :: 9.5990 HA :: 4.6210 HB :: 4.8430 HG2 :: 1.4410 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 :: 116.2100 Ave N Shift Values>> N :: 115.7(5.05) K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.17 M 0.01 C Shift Assignments>> C :: 179.6560 CA :: 59.7880 CB :: 31.8240 CG :: 25.1780 CD :: 29.1280 CE :: 41.7910 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 :: 8.9780 HA :: 4.0510 HB3 :: 1.9140 HG2 :: 1.6080 HG3 :: 1.5070 HD2 :: 1.7210 HD3 :: 1.7210 HE2 :: 3.0210 HE3 :: 3.0210 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 :: 119.5450 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.4340 CA :: 66.6310 CB :: 68.5410 CG2 :: 21.1450 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 :: 7.9300 HA :: 3.8090 HB :: 3.7160 HG2 :: 0.7170 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 :: 116.6860 Ave N Shift Values>> N :: 115.7(5.05) D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.17 Y 0.13 C 0.13 L 0.13 R 0.09 D 0.05 I 0.03 HN Overlap>> Q138 C Shift Assignments>> C :: 177.6630 CA :: 57.9800 CB :: 41.6490 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 :: 7.5490 HA :: 4.6040 HB2 :: 3.4090 HB3 :: 2.6650 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 :: 120.4240 Ave N Shift Values>> N :: 120.73(4.2) V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 C 0.02 C Shift Assignments>> C :: 177.3680 CA :: 67.6430 CB :: 31.6420 CG1 :: 22.7930 CG2 :: 21.3310 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 :: 8.2120 HA :: 3.3100 HB :: 2.0720 HG1 :: 0.9890 HG2 :: 0.9040 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 :: 119.1520 Ave N Shift Values>> N :: 121.02(4.96) K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.14 M 0.02 C Shift Assignments>> C :: 179.7780 CA :: 59.1720 CB :: 32.1320 CG :: 24.7790 CD :: 29.0620 CE :: 41.5220 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 :: 7.5730 HA :: 4.1180 HB3 :: 1.9640 HG2 :: 1.6070 HG3 :: 1.4310 HD2 :: 1.7070 HD3 :: 1.7070 HE2 :: 2.9300 HE3 :: 2.9300 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 :: 119.2740 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 M 0.28 I 0.03 HN Overlap>> T98 C Shift Assignments>> C :: 178.1870 CA :: 59.9480 CB :: 32.7720 CG :: 34.0990 CE :: 18.3100 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 :: 8.1630 HA :: 4.1600 HB2 :: 2.3230 HB3 :: 1.9550 HG2 :: 2.9410 HG3 :: 2.1550 HE :: 1.4900 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 :: 118.3730 Ave N Shift Values>> N :: 120.1(3.88) M121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.42 C Shift Assignments>> C :: 177.7580 CA :: 59.9030 CB :: 32.8900 CG :: 32.8800 CE :: 15.8870 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 :: 8.7060 HA :: 3.5900 HB2 :: 1.9570 HB3 :: 1.6370 HG2 :: 1.9570 HG3 :: 1.6370 HE :: 1.3550 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 :: 118.2280 Ave N Shift Values>> N :: 120.1(3.88) E122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.32 E 0.23 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.5800 CA :: 60.7970 CB :: 28.8680 CG :: 36.2920 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 :: 8.4960 HA :: 3.6740 HB2 :: 2.2180 HB3 :: 2.0070 HG2 :: 2.5290 HG3 :: 2.1150 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 :: 118.6530 Ave N Shift Values>> N :: 120.68(3.68) R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.36 K 0.2 L 0.01 G 0.01 C Shift Assignments>> C :: 179.2890 CA :: 58.4090 CB :: 30.0460 CG :: 26.8400 CD :: 42.2530 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 :: 7.3150 HA :: 4.2400 HB2 :: 2.1160 HB3 :: 1.9610 HG2 :: 1.8170 HG3 :: 1.7680 HD2 :: 3.2610 HD3 :: 3.1620 HE :: 7.3040 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 :: 116.8310 NE :: 113.4500 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> H102 C Shift Assignments>> C :: 177.1820 CA :: 65.7160 CB :: 32.2150 CG1 :: 24.1140 CG2 :: 20.9090 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 :: 8.3220 HA :: 3.8310 HB :: 2.3340 HG1 :: 1.3230 HG2 :: 1.2850 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 :: 119.1020 Ave N Shift Values>> N :: 121.02(4.96) V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 177.5090 CA :: 66.6370 CB :: 31.1920 CG1 :: 24.8600 CG2 :: 24.3670 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 :: 9.1060 HA :: 3.6720 HB :: 2.2740 HG1 :: 1.2350 HG2 :: 0.9600 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 :: 121.4620 Ave N Shift Values>> N :: 121.02(4.96) E126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 C 0.32 E 0.22 K 0.04 Q 0.01 C Shift Assignments>> C :: 177.5830 CA :: 61.1830 CB :: 29.1340 CG :: 36.1740 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 :: 7.9940 HA :: 3.6100 HB2 :: 2.2370 HB3 :: 2.1690 HG2 :: 2.1260 HG3 :: 2.1260 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 :: 120.6160 Ave N Shift Values>> N :: 120.68(3.68) Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.22 Q 0.22 E 0.08 R 0.08 I 0.03 M 0.01 P 0.01 C Shift Assignments>> C :: 179.0030 CA :: 59.0740 CB :: 28.0000 CG :: 33.7700 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 :: 7.1640 HA :: 4.0000 HB2 :: 2.2250 HB3 :: 2.1580 HG2 :: 2.4520 HG3 :: 2.4520 HE21 :: 7.2690 HE22 :: 6.8730 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 :: 114.9160 NE2 :: 115.6610 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.39 I 0.04 C Shift Assignments>> C :: 178.5870 CA :: 59.9460 CB :: 34.3340 CG :: 32.3290 CE :: 16.5250 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 :: 8.2160 HA :: 4.1590 HB2 :: 2.1550 HB3 :: 2.1620 HG2 :: 2.8260 HG3 :: 2.5080 HE :: 1.9070 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 :: 119.3550 Ave N Shift Values>> N :: 120.1(3.88) C129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.16 C 0.16 Y 0.14 R 0.11 I 0.09 L 0.06 D 0.01 C Shift Assignments>> C :: 176.8500 CA :: 59.8060 CB :: 41.9460 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.2240 HA :: 4.4170 HB2 :: 3.5520 HB3 :: 2.8960 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 :: 119.4470 Ave N Shift Values>> N :: 119.95(4.79) I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> CA :: 66.6120 CB :: 38.1030 CG1 :: 30.7600 CG2 :: 17.1610 CD1 :: 13.9790 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 :: 8.3460 HA :: 3.5830 HB :: 2.0230 HG2 :: 0.8900 HG12 :: 1.9850 HG13 :: 0.8590 HD1 :: 0.8510 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 :: 123.9480 Ave N Shift Values>> N :: 121.6(4.72) T131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.7780 CA :: 66.9510 CB :: 68.2730 CG2 :: 21.9730 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 :: 8.1220 HA :: 3.9620 HB :: 4.3270 HG2 :: 1.2340 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 :: 118.6100 Ave N Shift Values>> N :: 115.7(5.05) Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.26 Q 0.19 R 0.16 E 0.03 M 0.03 C Shift Assignments>> C :: 177.2860 CA :: 58.5960 CB :: 28.1060 CG :: 32.8000 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 :: 8.7030 HA :: 3.6600 HB2 :: 2.2910 HE21 :: 7.5610 HE22 :: 6.8940 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 :: 122.2180 NE2 :: 113.1720 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 HN Overlap>> Y77 C Shift Assignments>> C :: 178.0220 CA :: 62.0620 CB :: 38.8140 CD1 :: 132.5400 CE1 :: 117.8000 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 :: 8.5930 HA :: 4.7280 HB2 :: 3.1380 HB3 :: 2.7710 HD1 :: 6.2250 HE1 :: 6.5690 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 :: 121.4330 Ave N Shift Values>> N :: 120.79(4.69) E134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.28 I 0.19 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 179.1620 CA :: 59.6940 CB :: 28.8160 CG :: 35.7460 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 :: 8.3040 HA :: 3.7500 HB2 :: 2.3530 HB3 :: 2.0720 HG2 :: 2.6130 HG3 :: 2.3430 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 :: 121.0440 Ave N Shift Values>> N :: 120.68(3.68) R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.15 K 0.03 C Shift Assignments>> C :: 179.7280 CA :: 59.1200 CB :: 30.1780 CG :: 26.9380 CD :: 43.8880 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 :: 7.9270 HA :: 3.9930 HB2 :: 1.9570 HB3 :: 1.8580 HG2 :: 1.8510 HG3 :: 1.6190 HD2 :: 3.0900 HD3 :: 2.9520 HE :: 7.2550 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 :: 119.1430 NE :: 114.2900 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.13 K 0.08 M 0.03 Q 0.03 C Shift Assignments>> C :: 178.9070 CA :: 58.0360 CB :: 29.4680 CG :: 36.4610 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 :: 8.4650 HA :: 4.0470 HB2 :: 2.0460 HB3 :: 1.7240 HG2 :: 2.4050 HG3 :: 2.2140 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 :: 119.2990 Ave N Shift Values>> N :: 120.68(3.68) S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.9100 CA :: 61.2210 CB :: 62.5080 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4720 HA :: 3.9240 HB2 :: 3.6300 HB3 :: 3.4130 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 :: 115.8560 Ave N Shift Values>> N :: 116.3(3.95) Q138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.12 R 0.06 I 0.02 M 0.02 HN Overlap>> K109 D117 C Shift Assignments>> C :: 177.6580 CA :: 58.3390 CB :: 28.3560 CG :: 34.0020 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 :: 7.6240 HA :: 4.1400 HB3 :: 2.1260 HG2 :: 2.5170 HG3 :: 2.4140 HE21 :: 7.4960 HE22 :: 6.8110 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 :: 120.4000 NE2 :: 111.7650 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 179.0190 CA :: 54.0290 CB :: 18.4980 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5230 HA :: 4.1810 HB :: 1.4120 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7230 Ave N Shift Values>> N :: 123.23(3.7) Y140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 HN Overlap>> M69 C94 C Shift Assignments>> C :: 177.2380 CA :: 60.2390 CB :: 38.9040 CD1 :: 132.7400 CE1 :: 117.8500 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 :: 8.0880 HA :: 4.1870 HB2 :: 3.0150 HB3 :: 2.8400 HD1 :: 6.7040 HE1 :: 6.6800 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 :: 119.2960 Ave N Shift Values>> N :: 120.79(4.69) Y141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.42 HN Overlap>> R66 C Shift Assignments>> C :: 176.6360 CA :: 59.0990 CB :: 38.1760 CD1 :: 132.7400 CE1 :: 117.6700 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 :: 7.9830 HA :: 4.3840 HB2 :: 3.1590 HB3 :: 2.9450 HD1 :: 7.2110 HE1 :: 6.8510 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 :: 117.9650 Ave N Shift Values>> N :: 120.79(4.69) Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.24 E 0.12 R 0.06 M 0.04 C Shift Assignments>> C :: 176.2820 CA :: 56.4610 CB :: 28.7710 CG :: 33.9640 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 :: 7.8760 HA :: 4.2440 HB2 :: 2.1330 HB3 :: 2.0610 HG2 :: 2.3820 HG3 :: 2.3820 HE21 :: 7.5640 HE22 :: 6.8530 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 :: 119.4370 NE2 :: 112.5520 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.11 G 0.07 C Shift Assignments>> C :: 177.0390 CA :: 56.7760 CB :: 30.6540 CG :: 27.2610 CD :: 43.3550 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 :: 7.9630 HA :: 4.2730 HB2 :: 1.8530 HB3 :: 1.8180 HG2 :: 1.6840 HG3 :: 1.6310 HD2 :: 3.1560 HD3 :: 3.1560 HE :: 7.1860 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 :: 120.7280 NE :: 114.6900 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.0510 CA :: 45.3650 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.2520 HA2 :: 3.9900 HA3 :: 3.9900 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.1990 Ave N Shift Values>> N :: 109.91(4.29) S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.7780 CA :: 58.5390 CB :: 63.8960 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.1470 HA :: 4.5180 HB2 :: 3.8790 HB3 :: 3.8790 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 :: 115.7000 Ave N Shift Values>> N :: 116.3(3.95) S146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 59.9980 CB :: 64.6730 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0120 HA :: 4.3030 HB2 :: 3.8620 HB3 :: 3.8620 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 :: 122.8230 Ave N Shift Values>> N :: 116.3(3.95) ########################################################################### Overall Results: #Consistent: 143 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 145 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 145 #Suspicious: 1 C Shift Results: #Consistent: 591 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 H Shift Results: #Consistent: 808 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 162 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: R71 HG3 = 0.2920(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.8389e-06 Y72 Typing: Mistyped Y72 CD1 = 65.4100(M), Expected = 132.54, Std = 1.3500, ChiSquare = 0.0000e+00 Y72 CE1 = 73.1000(M), Expected = 117.81, Std = 2.0900, ChiSquare = 0.0000e+00 F90 SRO Rule Break>> HA > HB2 : 0.995201919232307