P1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.42 P 0.37 C 0.1 I 0.03 W 0.02 C Shift Assignments>> C :: 181.3046 CA :: 63.1070 CB :: 32.6360 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 :: 3.2430 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) V2 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 :: 174.9551 CA :: 63.1404 CB :: 31.3257 CG1 :: 23.760 CG2 :: 23.760 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 :: 8.0496 HA :: 4.5400 HB :: 2.4250 HG1 :: 0.8270 HG2 :: 0.8270 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 :: 126.3568 Ave N Shift Values>> N :: 121.02(4.96) M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.32 C 0.24 HN Overlap>> I87 C Shift Assignments>> C :: 176.3508 CA :: 53.2120 CB :: 33.1119 CG :: 32.4980 CE :: 17.0800 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 :: 8.6917 HA :: 4.5300 HG2 :: 2.3070 HG3 :: 2.3070 HE :: 2.0000 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 :: 125.3851 Ave N Shift Values>> N :: 120.1(3.88) H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.17 Q 0.13 K 0.11 R 0.1 W 0.1 E 0.06 M 0.05 L 0.03 C Shift Assignments>> CA :: 53.1841 CB :: 29.3195 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 :: 8.6496 HA :: 5.0300 HB2 :: 3.0500 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 :: 116.8978 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.18 P 0.14 S 0.09 C 0.03 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> C :: 178.2143 CA :: 62.4400 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 :: 4.4090 HB2 :: 1.7660 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) H6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.13 H 0.13 R 0.12 K 0.11 C 0.11 M 0.04 I 0.03 V 0.01 HN Overlap>> A68 C Shift Assignments>> CA :: 57.5230 CB :: 29.6100 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 :: 8.7525 HB3 :: 3.1220 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 :: 121.0032 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 173.6128 CA :: 46.1440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.7525 HA2 :: 3.8280 HA3 :: 3.6165 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.6530 Ave N Shift Values>> N :: 109.91(4.29) A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.07 C 0.04 L 0.01 C Shift Assignments>> CA :: 49.9139 CB :: 20.4234 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.3344 HA :: 4.8910 HB :: 1.2260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.0419 Ave N Shift Values>> N :: 123.23(3.7) P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.11 M 0.05 H 0.03 R 0.02 K 0.02 W 0.01 C Shift Assignments>> CB :: 31.9455 CD :: 50.8100 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>> HB2 :: 2.2130 HB3 :: 1.8310 HD2 :: 3.7555 HD3 :: 3.5618 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) P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.39 P 0.35 C 0.11 I 0.04 W 0.03 R 0.01 K 0.01 C Shift Assignments>> C :: 176.7910 CA :: 62.8030 CB :: 32.4130 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 :: 4.7140 HB2 :: 1.9730 HB3 :: 1.4300 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) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.12 R 0.1 K 0.08 N 0.07 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.3540 CA :: 52.2421 CB :: 42.4701 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 :: 7.9832 HA :: 4.8580 HB2 :: 2.5880 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 :: 115.4627 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.15 R 0.07 W 0.07 H 0.06 E 0.04 V 0.02 C Shift Assignments>> C :: 175.0332 CA :: 56.4816 CB :: 33.0759 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 :: 9.0373 HA :: 5.0700 HB2 :: 2.9680 HB3 :: 2.7570 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 :: 121.8899 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.21 P 0.1 K 0.1 H 0.09 Q 0.07 R 0.06 W 0.05 E 0.02 C Shift Assignments>> CA :: 52.2971 CB :: 32.6246 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 :: 8.0569 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 :: 125.2146 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 178.0986 CA :: 61.9820 CB :: 32.6120 CG :: 27.5420 CD :: 50.8970 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 :: 4.2960 HB2 :: 2.4130 HB3 :: 1.8570 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) W15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.14 R 0.14 C 0.13 H 0.11 Q 0.09 M 0.07 K 0.07 V 0.03 I 0.03 C Shift Assignments>> C :: 178.6749 CA :: 58.1797 CB :: 30.7121 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 :: 8.3776 HA :: 4.2250 HB2 :: 2.8520 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 :: 119.4695 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 E 0.18 K 0.16 M 0.13 R 0.01 C Shift Assignments>> C :: 178.8458 CA :: 54.4331 CB :: 29.9690 CG :: 34.7000 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 :: 9.5210 HA :: 4.5440 HB2 :: 2.2530 HB3 :: 2.0980 HG2 :: 2.5250 HG3 :: 2.5250 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.5017 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.13 K 0.12 R 0.12 M 0.11 E 0.1 H 0.08 V 0.06 Q 0.05 I 0.01 C Shift Assignments>> C :: 179.2310 CA :: 58.4230 CG :: 31.8420 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 :: 9.1110 HA :: 4.0725 HB2 :: 1.9990 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 :: 126.1410 Ave N Shift Values>> N :: 120.1(3.88) K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.47 M 0.04 C Shift Assignments>> C :: 179.7542 CA :: 59.1607 CB :: 32.0177 CG :: 24.4870 CD :: 29.4300 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 :: 8.6608 HA :: 4.0710 HB2 :: 1.8070 HG2 :: 1.3820 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 :: 115.7801 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.16 F 0.14 C 0.12 R 0.11 Y 0.11 D 0.07 I 0.02 C Shift Assignments>> C :: 178.5782 CA :: 57.3422 CB :: 41.8161 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 :: 7.1200 HA :: 4.5330 HB2 :: 2.8420 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 :: 119.5207 Ave N Shift Values>> N :: 120.73(4.2) L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.08 L 0.07 I 0.07 K 0.04 N 0.01 C Shift Assignments>> C :: 179.5608 CA :: 57.6163 CB :: 39.9731 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 :: 6.8898 HA :: 3.2350 HB2 :: 1.1320 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 :: 119.1425 Ave N Shift Values>> N :: 121.98(4.07) Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.2 Q 0.2 E 0.17 I 0.06 R 0.03 M 0.01 C Shift Assignments>> C :: 179.5416 CA :: 59.0045 CB :: 28.5253 CG :: 34.4800 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 :: 8.4754 HA :: 4.0600 HB2 :: 2.0800 HB3 :: 1.9995 HG2 :: 2.4580 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 :: 116.9288 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 181.5218 CA :: 55.4772 CB :: 18.1730 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5227 HA :: 4.1470 HB :: 1.6220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.1499 Ave N Shift Values>> N :: 123.23(3.7) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.08 C Shift Assignments>> C :: 178.4758 CA :: 65.4178 CB :: 38.7202 CG2 :: 18.2120 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.6547 HA :: 3.6260 HB :: 1.5750 HG2 :: 0.6250 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.8462 Ave N Shift Values>> N :: 121.6(4.72) K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.28 R 0.09 V 0.06 Q 0.05 P 0.04 I 0.02 M 0.01 HN Overlap>> D76 C Shift Assignments>> C :: 179.9818 CA :: 60.1172 CB :: 33.1780 CG :: 25.4000 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 :: 8.2184 HA :: 3.7340 HB2 :: 2.1340 HB3 :: 1.8020 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 :: 119.1126 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.23 Q 0.23 E 0.11 R 0.06 I 0.03 M 0.02 C Shift Assignments>> C :: 179.6986 CA :: 58.9654 CB :: 28.5539 CG :: 33.9260 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 :: 8.3672 HA :: 4.0500 HB2 :: 2.1880 HG2 :: 2.4610 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 :: 118.4254 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.15 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> CA :: 58.9957 CB :: 30.1387 CG :: 36.4720 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 :: 7.7576 HA :: 4.1220 HB2 :: 2.1540 HG2 :: 2.4070 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 :: 119.6611 Ave N Shift Values>> N :: 120.68(3.68) V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.8253 CA :: 63.8830 CB :: 32.1398 CG1 :: 22.1740 CG2 :: 22.1740 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 :: 7.9781 HA :: 3.9990 HB :: 2.4310 HG1 :: 0.8980 HG2 :: 0.8980 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 :: 114.5721 Ave N Shift Values>> N :: 121.02(4.96) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.4376 CA :: 60.0969 CB :: 62.4397 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.6846 HA :: 4.1005 HB2 :: 3.8885 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.3726 Ave N Shift Values>> N :: 116.3(3.95) Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 K 0.23 E 0.15 R 0.03 M 0.03 I 0.01 C Shift Assignments>> C :: 175.9409 CA :: 55.6804 CB :: 28.6628 CG :: 34.4770 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 :: 8.4821 HA :: 4.3635 HB2 :: 2.3790 HB3 :: 1.9900 HG2 :: 2.3550 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 :: 118.1947 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.15 C 0.04 L 0.03 C Shift Assignments>> C :: 177.2410 CA :: 51.8820 CB :: 20.3790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9164 HA :: 4.4250 HB :: 1.4320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.6157 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 0.85 M 0.12 C 0.01 C Shift Assignments>> CA :: 50.5297 CB :: 17.8937 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.6688 HB :: 1.3090 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.0308 Ave N Shift Values>> N :: 123.23(3.7) P32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.11 R 0.04 K 0.03 M 0.01 Q 0.01 C Shift Assignments>> CB :: 31.7220 CG :: 28.4030 CD :: 50.4440 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>> HB3 :: 1.5730 HG2 :: 1.9080 HG3 :: 2.2020 HD2 :: 3.5070 HD3 :: 3.8390 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) G33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.6673 CA :: 45.4320 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 5.4893(S) HA2 :: 4.3300 HA3 :: 3.5375 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.1064 Ave N Shift Values>> N :: 109.91(4.29) S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.2946 CB :: 62.8331 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0328 HA :: 4.6320 HB2 :: 4.3780 HB3 :: 4.0150 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.6110 Ave N Shift Values>> N :: 116.3(3.95) P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.71 P 0.17 I 0.05 C 0.04 C Shift Assignments>> C :: 180.4808 CA :: 67.0040 CB :: 32.0510 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 :: 4.2540 HB2 :: 2.4230 HB3 :: 1.9820 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) Q36 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 0.1 R 0.06 I 0.04 M 0.01 P 0.01 C Shift Assignments>> C :: 179.3376 CA :: 59.3352 CB :: 28.3020 CG :: 33.9100 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 :: 8.9699 HA :: 4.0830 HB2 :: 2.1420 HB3 :: 1.9220 HG2 :: 2.4440 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.0986 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.3 F 0.26 Y 0.18 C 0.17 K 0.04 L 0.01 R 0.01 C Shift Assignments>> C :: 177.6493 CA :: 61.3466 CB :: 40.7954 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 :: 7.2489 HA :: 3.8550 HB2 :: 3.2610 HB3 :: 2.6620 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 :: 121.0010 Ave N Shift Values>> N :: 120.69(4.18) M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 R 0.28 K 0.27 M 0.1 Q 0.03 C Shift Assignments>> C :: 179.8016 CA :: 55.5418 CB :: 28.8948 CG :: 30.9620 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 :: 8.8377 HA :: 4.3470 HB2 :: 2.1540 HB3 :: 1.9300 HG2 :: 2.5400 HG3 :: 2.7400 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 :: 114.7317 Ave N Shift Values>> N :: 120.1(3.88) Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.22 E 0.09 R 0.06 I 0.03 M 0.02 P 0.01 C Shift Assignments>> C :: 179.4163 CA :: 59.3995 CB :: 28.7163 CG :: 33.6620 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 :: 8.3448 HA :: 4.0680 HB2 :: 2.1600 HG2 :: 2.4180 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 :: 119.7972 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T40 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 :: 178.1059 CA :: 67.0088 CB :: 68.5995 CG2 :: 23.2900 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 :: 7.4227 HA :: 3.9170 HB :: 3.9040 HG2 :: 1.1010 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 :: 115.5880 Ave N Shift Values>> N :: 115.7(5.05) I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 178.7123 CA :: 63.6525 CB :: 36.8268 CG1 :: 28.0680 CG2 :: 18.9580 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 :: 8.2704 HA :: 3.9030 HB :: 1.6540 HG12 :: 1.1780 HG13 :: 0.9180 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 :: 120.0761 Ave N Shift Values>> N :: 121.6(4.72) R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.32 I 0.11 K 0.08 G 0.07 C Shift Assignments>> C :: 180.6559 CA :: 61.2033 CB :: 30.4035 CD :: 42.9130 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 :: 8.8613 HA :: 4.0405 HB2 :: 1.9190 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.5233 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.22 C 0.22 R 0.16 I 0.13 C Shift Assignments>> C :: 179.9972 CA :: 58.2317 CB :: 41.3887 CG :: 27.4060 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 :: 7.4963 HA :: 4.1800 HB2 :: 1.7920 HG :: 1.7490 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 :: 120.4523 Ave N Shift Values>> N :: 121.98(4.07) A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 181.1908 CA :: 55.4035 CB :: 17.4840 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9719 HA :: 4.5210 HB :: 1.6430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.4290 Ave N Shift Values>> N :: 123.23(3.7) V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 179.5679 CA :: 66.7660 CB :: 31.5962 CG1 :: 24.6900 CG2 :: 22.3530 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 :: 8.5459 HA :: 3.4710 HB :: 2.4250 HG1 :: 1.1220 HG2 :: 0.9230 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 :: 118.5900 Ave N Shift Values>> N :: 121.02(4.96) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.22 E 0.14 R 0.04 I 0.03 M 0.03 C Shift Assignments>> C :: 178.9701 CA :: 59.1866 CB :: 29.0584 CG :: 34.0390 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 :: 7.9546 HA :: 4.0520 HB2 :: 2.2400 HG2 :: 2.4560 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 :: 120.4880 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.25 Q 0.22 R 0.07 E 0.07 M 0.06 I 0.01 C Shift Assignments>> C :: 178.9635 CA :: 58.8077 CB :: 29.3151 CG :: 33.1520 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 :: 8.4949 HA :: 3.8880 HB2 :: 1.9700 HB3 :: 1.5340 HG2 :: 1.5700 HG3 :: 1.9890 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.4019 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.22 C 0.17 I 0.13 K 0.08 L 0.05 D 0.02 R 0.01 C Shift Assignments>> C :: 174.7606 CA :: 59.3127 CB :: 40.6550 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 :: 8.2950 HA :: 4.5310 HB2 :: 2.7980 HB3 :: 2.7030 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 :: 113.2502 Ave N Shift Values>> N :: 120.69(4.18) D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.14 N 0.14 C 0.12 F 0.1 Y 0.09 K 0.06 R 0.01 HN Overlap>> Q73 C Shift Assignments>> CA :: 54.4236 CB :: 40.4950 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 :: 7.7535 HA :: 4.5610 HB2 :: 2.6560 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 :: 117.0679 Ave N Shift Values>> N :: 120.73(4.2) P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.41 C 0.22 P 0.12 I 0.07 E 0.03 K 0.02 W 0.02 Q 0.01 M 0.01 Y 0.01 C Shift Assignments>> C :: 178.9540 CA :: 62.2340 CB :: 34.3510 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 :: 4.4410 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) T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.3414 CA :: 60.6601 CB :: 70.6740 CG2 :: 22.4920 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 :: 8.5725 HA :: 3.9730 HB :: 5.1230 HG2 :: 1.0570 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 :: 108.9093 Ave N Shift Values>> N :: 115.7(5.05) A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 I 0.13 A 0.13 C 0.03 V 0.01 C Shift Assignments>> C :: 181.9256 CA :: 56.5917 CB :: 17.5305 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.3968 HA :: 3.7920 HB :: 0.5920 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4596 Ave N Shift Values>> N :: 123.23(3.7) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.13 V 0.12 K 0.11 R 0.1 M 0.09 E 0.09 H 0.06 Q 0.03 I 0.02 P 0.01 C Shift Assignments>> C :: 179.5275 CA :: 59.3119 CB :: 32.0023 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 :: 9.2743 HA :: 4.0270 HB2 :: 1.7860 HB3 :: 1.5500 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 :: 123.9884 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D54 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.17 L 0.15 Y 0.13 C 0.13 D 0.1 R 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 181.9015(M) CA :: 57.1335 CB :: 41.2737 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 :: 7.6751 HA :: 4.3200 HB2 :: 3.2460 HB3 :: 2.3350 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 :: 118.5228 Ave N Shift Values>> N :: 120.73(4.2) L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.27 L 0.21 K 0.06 E 0.01 C Shift Assignments>> C :: 178.7675 CA :: 57.6843 CB :: 39.5985 CG :: 26.2810 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 :: 8.4075 HA :: 3.9975 HB2 :: 1.6840 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 :: 122.4318 Ave N Shift Values>> N :: 121.98(4.07) Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 R 0.2 Q 0.18 E 0.02 M 0.02 C Shift Assignments>> C :: 179.1133 CA :: 58.4244 CB :: 27.5353 CG :: 32.7630 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 :: 7.8495 HA :: 4.5580 HB2 :: 2.3030 HG3 :: 2.6150 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 :: 123.2339 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D57 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 0.13 L 0.11 D 0.08 I 0.05 R 0.02 N 0.01 C Shift Assignments>> C :: 180.2327 CA :: 57.6260 CB :: 40.7760 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 :: 8.4262 HA :: 4.4030 HB2 :: 3.0380 HB3 :: 2.6970 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 :: 120.3385 Ave N Shift Values>> N :: 120.73(4.2) L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 R 0.21 C 0.19 L 0.17 I 0.04 G 0.01 C Shift Assignments>> C :: 178.3875 CA :: 58.0108 CB :: 42.4620 CG :: 25.1510 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 :: 8.1684 HA :: 3.7420 HB2 :: 2.1440 HB3 :: 1.2880 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 :: 120.7390 Ave N Shift Values>> N :: 121.98(4.07) L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.25 L 0.16 K 0.09 G 0.08 I 0.04 C Shift Assignments>> C :: 179.0897 CA :: 59.1493 CB :: 43.4362 CG :: 27.5910 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 :: 8.6676 HA :: 4.0900 HB2 :: 2.3790 HB3 :: 2.0070 HG :: 1.4800 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 :: 120.3983 Ave N Shift Values>> N :: 121.98(4.07) Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.23 K 0.19 Q 0.19 I 0.04 M 0.03 R 0.02 C Shift Assignments>> C :: 177.8116 CA :: 57.8793 CB :: 28.9714 CG :: 34.9120 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 :: 8.2076 HA :: 4.1235 HB2 :: 2.1780 HG2 :: 2.4880 HG3 :: 2.5960 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 :: 113.7946 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 F 0.26 Y 0.21 C 0.17 K 0.01 L 0.01 C Shift Assignments>> C :: 178.0639 CA :: 60.8464 CB :: 40.0441 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 :: 7.7332 HA :: 4.1730 HB2 :: 3.1195 HB3 :: 2.8200 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 :: 118.6560 Ave N Shift Values>> N :: 120.79(4.69) L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.41 L 0.14 A 0.02 C Shift Assignments>> C :: 179.4030 CA :: 56.7010 CB :: 46.3005 CG :: 26.1290 CD1 :: 22.6170 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 :: 7.9993 HA :: 4.1560 HB2 :: 2.1130 HB3 :: 1.7340 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 :: 114.2340 Ave N Shift Values>> N :: 121.98(4.07) C63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.14 M 0.12 W 0.12 R 0.11 E 0.09 H 0.08 V 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 174.5241 CA :: 58.3529 CB :: 32.1713 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.1330 HA :: 4.8300 HB2 :: 3.0880 HB3 :: 2.8070 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 :: 115.1266 Ave N Shift Values>> N :: 119.95(4.79) S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.4139 CA :: 57.4469 CB :: 65.0040 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.9055 HA :: 4.4110 HB2 :: 4.4340 HB3 :: 4.0980 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.0173 Ave N Shift Values>> N :: 116.3(3.95) S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.2892 CA :: 57.3468 CB :: 61.9600 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.9859 HA :: 4.1730 HB2 :: 3.9620 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 :: 116.6826 Ave N Shift Values>> N :: 116.3(3.95) L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.32 C 0.25 R 0.04 G 0.01 C Shift Assignments>> C :: 179.9858 CA :: 58.4200 CB :: 42.2524 CG :: 27.1900 CD2 :: 24.4690 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 :: 8.0662 HA :: 4.1850 HB2 :: 1.6640 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 :: 123.1827 Ave N Shift Values>> N :: 121.98(4.07) V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.6097 CA :: 67.0740 CB :: 31.9108 CG1 :: 21.6440 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 :: 7.5106 HA :: 3.4430 HB :: 2.1300 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 :: 120.6269 Ave N Shift Values>> N :: 121.02(4.96) A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.23 I 0.07 C 0.03 HN Overlap>> H6 C Shift Assignments>> C :: 180.8375 CA :: 55.7827 CB :: 17.6330 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.7694 HA :: 3.9400 HB :: 1.3933 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.9630 Ave N Shift Values>> N :: 123.23(3.7) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.1189 CA :: 61.8209 CB :: 62.9076 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.0609 HA :: 4.3060 HB2 :: 4.0640 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.4441 Ave N Shift Values>> N :: 116.3(3.95) L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 R 0.19 L 0.15 F 0.13 C 0.13 Y 0.1 D 0.04 I 0.02 C Shift Assignments>> C :: 180.8071 CA :: 58.0269 CB :: 42.3157 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 :: 7.9809 HA :: 4.1000 HB2 :: 1.8940 HB3 :: 1.4070 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 :: 124.0115 Ave N Shift Values>> N :: 121.98(4.07) H71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 P 0.28 C 0.12 I 0.09 W 0.07 R 0.03 E 0.02 K 0.01 H 0.01 M 0.01 C Shift Assignments>> C :: 177.5258 CA :: 62.2070 CB :: 31.4412 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 :: 8.7891 HA :: 3.4310 HB2 :: 3.0070 HB3 :: 2.3930 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 :: 121.3533 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.12 I 0.12 K 0.1 Q 0.09 R 0.09 H 0.09 V 0.02 M 0.02 C Shift Assignments>> C :: 177.9632 CA :: 59.4051 CB :: 29.2833 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 :: 8.3514 HA :: 4.2300 HB2 :: 3.5470 HB3 :: 3.4290 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 :: 116.9468 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.22 K 0.21 E 0.15 R 0.04 M 0.03 I 0.03 HN Overlap>> D49 C Shift Assignments>> C :: 179.8217 CA :: 59.0706 CB :: 29.1426 CG :: 34.0580 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 :: 7.7174 HA :: 4.0310 HB2 :: 2.1690 HG2 :: 2.4130 HG3 :: 2.4230 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.0430 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.22 R 0.16 E 0.03 M 0.02 C Shift Assignments>> C :: 179.1198 CA :: 57.7134 CB :: 27.6902 CG :: 33.0510 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 :: 7.6739 HA :: 4.1230 HB2 :: 1.9390 HB3 :: 1.7550 HG2 :: 2.0300 HG3 :: 2.6040 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 :: 119.1363 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.36 K 0.22 C Shift Assignments>> C :: 178.7862 CA :: 57.9541 CB :: 40.8093 CG :: 27.4020 CD2 :: 23.0460 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 :: 9.0524 HA :: 3.7560 HB2 :: 1.8290 HG :: 1.0960 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 :: 122.2646 Ave N Shift Values>> N :: 121.98(4.07) D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.25 C 0.18 I 0.09 L 0.06 D 0.06 K 0.04 N 0.01 HN Overlap>> K24 C Shift Assignments>> C :: 180.7421 CA :: 57.9977 CB :: 39.9326 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 :: 8.2976 HA :: 4.3530 HB2 :: 2.5930 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 :: 119.0909 Ave N Shift Values>> N :: 120.73(4.2) S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.8040 CA :: 61.7647 CB :: 62.8084 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.3018 HA :: 4.2666 HB2 :: 3.9615 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 :: 115.7275 Ave N Shift Values>> N :: 116.3(3.95) L78 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.59 C 0.36 G 0.03 HN Overlap>> A119 C Shift Assignments>> C :: 181.7371 CA :: 58.0448 CB :: 42.5490 CG :: 69.3800(M) CD1 :: 68.4860(M) CD2 :: 64.9220(M) 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 :: 8.2418 HA :: 4.0530 HB2 :: 1.9450 HB3 :: 1.4050 HG :: 1.7690 HD1 :: 0.7230 HD2 :: 0.7890 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 :: 122.9055 Ave N Shift Values>> N :: 121.98(4.07) SRO Rule Breaks>> (CA > CG : 0.9996) (CA > CD1 : 0.9996) (CA > CD2 : 0.9996) (CB > CG : 0.9976) (CB > CD1 : 0.9993) (CB > CD2 : 0.9996) I79 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 178.2277 CA :: 66.2270 CB :: 38.2482 CG1 :: 30.8480 CG2 :: 17.9370 CD1 :: 78.6400(M) 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 :: 9.0240 HA :: 3.5370 HB :: 1.9270 HG2 :: 0.9090 HG12 :: 1.8220 HG13 :: 0.7760 HD1 :: 0.9280 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 :: 121.3876 Ave N Shift Values>> N :: 121.6(4.72) SRO Rule Breaks>> (CA > CD1 : 0.9988) (CB > CD1 : 0.9970) (CG1 > CD1 : 0.9935) S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.6246 CA :: 61.8118 CB :: 62.8067 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8886 HA :: 4.3060 HB2 :: 4.0220 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.8972 Ave N Shift Values>> N :: 116.3(3.95) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.2 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.5866 CA :: 59.5918 CB :: 29.9114 CG :: 36.3590 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 :: 7.8761 HA :: 4.0570 HB2 :: 2.0640 HG2 :: 2.2140 HG3 :: 2.3900 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 :: 121.0106 Ave N Shift Values>> N :: 120.68(3.68) A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.9209 CA :: 55.4052 CB :: 18.3490 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1893 HA :: 4.0330 HB :: 1.4410 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.6429 Ave N Shift Values>> N :: 123.23(3.7) E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.34 E 0.26 M 0.01 K 0.01 C Shift Assignments>> C :: 180.5561 CA :: 59.7476 CB :: 30.0158 CG :: 37.6870 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 :: 8.8148 HA :: 3.8850 HB2 :: 2.3080 HB3 :: 2.1070 HG2 :: 2.1390 HG3 :: 2.6110 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 :: 116.9299 Ave N Shift Values>> N :: 120.68(3.68) T84 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 :: 176.7823 CA :: 65.8374 CB :: 69.0338 CG2 :: 21.3340 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 :: 7.8064 HA :: 4.0500 HB :: 4.3110 HG2 :: 1.2702 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 :: 114.5905 Ave N Shift Values>> N :: 115.7(5.05) R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.38 G 0.11 K 0.08 C Shift Assignments>> C :: 179.8966 CA :: 58.3354 CB :: 31.0583 CG :: 27.6080 CD :: 43.7630 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 :: 7.7851 HA :: 4.2090 HB2 :: 1.9310 HG2 :: 1.7050 HG3 :: 1.8100 HD2 :: 3.2110 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 :: 120.9355 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G86 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 :: 174.1721 CA :: 45.3194 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.9660 HA2 :: 4.3580 HA3 :: 3.7070 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.3615 Ave N Shift Values>> N :: 109.91(4.29) I87 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 HN Overlap>> M3 C Shift Assignments>> C :: 177.3589 CA :: 60.6452 CB :: 40.3969 CG1 :: 27.3970 CG2 :: 16.8920 CD1 :: 77.8330(M) 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 :: 8.6483 HA :: 4.2630 HB :: 1.6600 HG2 :: 0.7650 HG12 :: 1.4870 HG13 :: 0.8400 HD1 :: 0.5550 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 :: 125.3024 Ave N Shift Values>> N :: 121.6(4.72) SRO Rule Breaks>> (CA > CD1 : 0.9988) (CB > CD1 : 0.9970) (CG1 > CD1 : 0.9935) T88 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 :: 176.0799 CA :: 64.8473 CB :: 69.1790 CG2 :: 22.0860 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 :: 8.6764 HA :: 4.0255 HB :: 4.0450 HG2 :: 1.6863 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 :: 124.2393 Ave N Shift Values>> N :: 115.7(5.05) S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.3063 CA :: 60.1220 CB :: 63.2027 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.8444 HA :: 4.1640 HB2 :: 4.0980 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.6316 Ave N Shift Values>> N :: 116.3(3.95) Y90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.21 C 0.19 D 0.12 N 0.07 L 0.06 I 0.04 E 0.02 K 0.01 C Shift Assignments>> C :: 174.2146 CA :: 56.4703 CB :: 39.3673 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 :: 7.9261 HA :: 4.6800 HB2 :: 3.1550 HB3 :: 2.6750 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 :: 121.5559 Ave N Shift Values>> N :: 120.79(4.69) N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 C 0.24 D 0.13 G 0.13 F 0.01 Y 0.01 L 0.01 C Shift Assignments>> CA :: 48.7538 CB :: 39.3424 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 :: 9.0194 HA :: 5.0050 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 :: 127.8300 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.15 C Shift Assignments>> C :: 179.4696 CA :: 63.6810 CB :: 32.0600 CG :: 26.8730 CD :: 51.1510 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 :: 3.9460 HB2 :: 2.2510 HB3 :: 1.9000 HG2 :: 1.8850 HD2 :: 3.8400 HD3 :: 3.3470 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) L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.04 A 0.01 C Shift Assignments>> C :: 179.3122 CA :: 56.6833 CB :: 40.9299 CG :: 27.4680 CD1 :: 25.1370 CD2 :: 22.7030 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 :: 7.6271 HA :: 4.0750 HB2 :: 1.6380 HB3 :: 1.4740 HG :: 1.6140 HD1 :: 0.9050 HD2 :: 0.8250 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 :: 118.1283 Ave N Shift Values>> N :: 121.98(4.07) A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.19 C 0.01 C Shift Assignments>> C :: 177.3770 CA :: 51.9854 CB :: 18.1060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.4573 HA :: 4.4180 HB :: 1.3723 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.9186 Ave N Shift Values>> N :: 123.23(3.7) G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> CA :: 44.0114 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.2660 HA2 :: 4.5450 HA3 :: 3.9810 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.3860 Ave N Shift Values>> N :: 109.91(4.29) P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.43 P 0.37 C 0.1 I 0.03 W 0.02 C Shift Assignments>> C :: 178.6933 CA :: 63.2750 CB :: 32.8010 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 :: 4.7790 HB2 :: 2.6650 HB3 :: 1.9140 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) L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 C 0.24 L 0.16 R 0.16 K 0.16 C Shift Assignments>> C :: 178.5418 CA :: 59.6812 CB :: 41.4350 CG :: 26.8250 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 :: 8.8384 HA :: 3.7470 HB2 :: 1.7220 HB3 :: 1.1420 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 :: 127.4123 Ave N Shift Values>> N :: 121.98(4.07) R98 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.27 C Shift Assignments>> C :: 176.5477 CA :: 59.4288 CB :: 30.3491 CG :: 70.5190(M) CD :: 43.7700 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 :: 9.0770 HA :: 3.3510 HB2 :: 1.6550 HG3 :: 1.5130 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 :: 113.7910 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (CA > CG : 0.9993) (CD > CG : 0.9985) V99 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>> C :: 181.2110 CA :: 64.9147 CB :: 32.7314 CG1 :: 21.0410 CG2 :: 22.5934 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 :: 6.7915 HA :: 3.7740 HB :: 2.0370 HG1 :: 0.9850 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 :: 115.4975 Ave N Shift Values>> N :: 121.02(4.96) Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.24 I 0.17 K 0.09 Q 0.08 M 0.03 C Shift Assignments>> C :: 178.7611 CA :: 60.9163 CB :: 29.8336 CG :: 35.1060 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 :: 8.1725 HA :: 4.0760 HB2 :: 2.3240 HB3 :: 1.7480 HG2 :: 2.0230 HG3 :: 2.3260 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.8982 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.33 C 0.02 C Shift Assignments>> C :: 178.5729 CA :: 53.5000 CB :: 18.2640 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.2040 HA :: 3.8740 HB :: 1.0140 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.0720 Ave N Shift Values>> N :: 123.23(3.7) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.22 C 0.14 Y 0.07 F 0.06 L 0.04 C Shift Assignments>> C :: 175.7211 CA :: 53.0700 CB :: 39.1110 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 :: 7.4902 HA :: 4.8410 HB2 :: 2.8510 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 :: 117.6853 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.15 Y 0.03 F 0.02 L 0.01 C Shift Assignments>> CA :: 50.6670 CB :: 38.7704 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 :: 7.6487 HA :: 5.0320 HB2 :: 3.3800 HB3 :: 3.0010 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 :: 121.2050 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> C :: 177.4921 CA :: 64.9210 CB :: 32.3590 CG :: 28.0590 CD :: 51.6030 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 :: 3.9665 HB2 :: 1.8840 HD2 :: 4.4240 HD3 :: 3.9210 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) Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.23 E 0.15 M 0.05 R 0.04 I 0.01 C Shift Assignments>> C :: 178.5586 CA :: 57.3623 CB :: 29.1222 CG :: 34.1240 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 :: 7.9938 HA :: 4.1560 HB2 :: 2.2400 HB3 :: 1.9850 HG3 :: 2.4850 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 :: 113.4873 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.2 Q 0.2 R 0.18 M 0.02 E 0.01 C Shift Assignments>> C :: 176.1063 CA :: 53.9739 CB :: 26.6178 CG :: 33.0900 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 :: 7.7610 HA :: 4.6650 HB2 :: 2.2000 HG2 :: 2.2260 HG3 :: 2.5320 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 :: 120.6060 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.18 E 0.17 K 0.15 M 0.06 I 0.05 R 0.01 C Shift Assignments>> CA :: 60.2303 CB :: 29.9288 CG :: 34.1250 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 :: 7.6092 HA :: 3.7380 HB2 :: 2.3230 HB3 :: 2.0420 HG2 :: 2.2260 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.6059 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.24 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 178.0115 CA :: 47.5375 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.6076 HA2 :: 3.9445 HA3 :: 3.7505 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.5760 Ave N Shift Values>> N :: 109.91(4.29) L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.42 R 0.1 K 0.02 C Shift Assignments>> C :: 179.7594 CA :: 57.5448 CB :: 41.1042 CG :: 26.9760 CD1 :: 27.3790 CD2 :: 23.6600 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 :: 8.0709 HA :: 4.0790 HB2 :: 1.6720 HB3 :: 1.2610 HG :: 1.7690 HD1 :: 0.8610 HD2 :: 0.7340 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 :: 121.1165 Ave N Shift Values>> N :: 121.98(4.07) R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 C 0.15 W 0.15 E 0.09 R 0.07 V 0.06 K 0.06 H 0.05 Q 0.05 P 0.03 M 0.01 C Shift Assignments>> C :: 179.6401 CA :: 60.8637 CB :: 29.4394 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 :: 8.3125 HA :: 3.9320 HB2 :: 2.0140 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 :: 120.5190 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 C 0.29 K 0.24 L 0.06 I 0.05 G 0.03 C Shift Assignments>> C :: 180.2349 CA :: 58.6855 CB :: 29.0929 CD :: 42.8710 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 :: 8.4891 HA :: 4.1010 HB2 :: 2.0310 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 :: 119.1000 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.23 K 0.16 Q 0.15 I 0.09 M 0.02 R 0.01 C Shift Assignments>> C :: 180.1004 CA :: 59.4023 CB :: 28.8844 CG :: 34.9450 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 :: 7.9607 HA :: 4.1240 HB2 :: 2.1480 HB3 :: 2.0780 HG2 :: 2.2460 HG3 :: 2.3610 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 :: 119.9780 Ave N Shift Values>> N :: 120.68(3.68) Y113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.13 F 0.12 Y 0.1 C Shift Assignments>> C :: 178.2226 CA :: 63.3036 CB :: 38.8765 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 :: 8.6038 HA :: 3.7450 HB2 :: 3.2250 HB3 :: 2.7260 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 :: 119.9942 Ave N Shift Values>> N :: 120.79(4.69) Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.21 Q 0.21 E 0.09 R 0.07 I 0.04 P 0.01 M 0.01 C Shift Assignments>> C :: 175.4444 CA :: 59.3470 CB :: 28.0140 CG :: 33.9390 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 :: 8.8136 HB2 :: 1.8700 HG2 :: 3.0740 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.2897 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.22 E 0.12 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 180.6721 CA :: 58.8653 CB :: 28.3621 CG :: 34.0840 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 :: 7.8735 HA :: 4.1100 HB2 :: 2.2780 HG2 :: 2.6230 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 :: 115.1987 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.39 C Shift Assignments>> C :: 178.0198 CA :: 58.3580 CB :: 41.7494 CG :: 26.1150 CD1 :: 23.3090 CD2 :: 23.5910 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 :: 7.8820 HA :: 4.0130 HB2 :: 1.6510 HB3 :: 1.0100 HG :: 1.8420 HD1 :: 0.7120 HD2 :: 0.6000 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 :: 122.6012 Ave N Shift Values>> N :: 121.98(4.07) W117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 P 0.2 V 0.16 C 0.12 W 0.08 E 0.02 R 0.02 H 0.01 K 0.01 Q 0.01 C Shift Assignments>> C :: 180.1829 CA :: 62.7365 CB :: 29.7385 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 :: 8.8808 HA :: 3.8530 HB2 :: 3.6370 HB3 :: 2.8790 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 :: 121.1499 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 R 0.33 L 0.21 G 0.06 K 0.03 C Shift Assignments>> C :: 180.4387 CA :: 58.4236 CB :: 43.0798 CG :: 27.9960 CD1 :: 25.1140 CD2 :: 26.9040 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 :: 8.6894 HA :: 4.3330 HB2 :: 2.2520 HB3 :: 1.5170 HG :: 2.4330 HD1 :: 1.1100 HD2 :: 1.1030 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 :: 119.0657 Ave N Shift Values>> N :: 121.98(4.07) A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 I 0.02 C 0.02 HN Overlap>> L78 C Shift Assignments>> C :: 181.6750 CA :: 54.8045 CB :: 18.1140 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.1492 HA :: 4.1370 HB :: 1.5110 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.8470 Ave N Shift Values>> N :: 123.23(3.7) A120 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.64 A 0.3 I 0.02 C 0.01 C Shift Assignments>> C :: 178.6428 CA :: 54.4827 CB :: 16.5330 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.9172 HA :: 3.6860 HB :: 0.5177(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.7458 Ave N Shift Values>> N :: 123.23(3.7) F121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 F 0.21 C 0.15 Y 0.15 C Shift Assignments>> C :: 178.0476 CA :: 62.3470 CB :: 40.2293 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 :: 7.1980 HA :: 3.9800 HB3 :: 3.0940 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 :: 111.6960 Ave N Shift Values>> N :: 120.69(4.18) A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 178.5956 CA :: 54.1460 CB :: 18.6070 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.6448 HA :: 4.2660 HB :: 1.4860 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.3207 Ave N Shift Values>> N :: 123.23(3.7) A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.15 C 0.02 C Shift Assignments>> C :: 178.4141 CA :: 51.8925 CB :: 19.4131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.2331 HA :: 4.3110 HB :: 1.2570 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.9258 Ave N Shift Values>> N :: 123.23(3.7) L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.4 R 0.02 A 0.01 K 0.01 C Shift Assignments>> CA :: 54.3826 CB :: 40.2639 CG :: 27.4630 CD1 :: 26.9610 CD2 :: 23.8880 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 :: 7.3698 HA :: 4.3270 HB2 :: 1.8180 HB3 :: 1.4980 HG :: 1.8880 HD1 :: 0.8600 HD2 :: 0.7810 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 :: 119.7534 Ave N Shift Values>> N :: 121.98(4.07) P125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.6455 CA :: 64.0830 CB :: 31.8570 CG :: 27.6270 CD :: 50.6700 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 :: 4.3695 HB2 :: 2.2680 HB3 :: 1.8700 HD2 :: 3.8590 HD3 :: 3.5500 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) G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 179.2965 CA :: 45.7798 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.4831 HA2 :: 3.8500 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.5897 Ave N Shift Values>> N :: 109.91(4.29) S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3038 CA :: 58.8248 CB :: 64.0717 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8780 HA :: 4.2950 HB2 :: 3.8490 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 :: 115.0845 Ave N Shift Values>> N :: 116.3(3.95) A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.03 L 0.01 C Shift Assignments>> C :: 178.1231 CA :: 52.6221 CB :: 19.6154 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0565 HA :: 4.2820 HB :: 1.3440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.9357 Ave N Shift Values>> N :: 123.23(3.7) K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 C Shift Assignments>> C :: 176.8063 CA :: 56.2056 CB :: 33.3940 CG :: 24.7020 CD :: 29.1780 CE :: 42.4050 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 :: 8.0407 HA :: 4.1860 HB2 :: 1.7000 HG2 :: 1.3570 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 :: 119.7451 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 C 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 HN Overlap>> W133 C Shift Assignments>> CA :: 52.3668 CB :: 41.7432 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 :: 7.8140 HA :: 4.8170 HB2 :: 2.4280 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.8587 Ave N Shift Values>> N :: 120.73(4.2) P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 178.0178 CA :: 63.9280 CB :: 32.1350 CG :: 27.3850 CD :: 51.0280 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 :: 4.3585 HB2 :: 2.1700 HB3 :: 1.7720 HD2 :: 3.7880 HD3 :: 3.7300 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) S132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.3046 CA :: 59.2296 CB :: 63.6983 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.4694 HA :: 4.3460 HB2 :: 3.8310 HB3 :: 3.8330 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 :: 115.0615 Ave N Shift Values>> N :: 116.3(3.95) W133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.13 H 0.13 Q 0.13 R 0.12 C 0.11 K 0.1 M 0.05 I 0.02 HN Overlap>> D130 C Shift Assignments>> C :: 175.6995 CA :: 57.0538 CB :: 29.8281 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 :: 7.8456 HA :: 4.6760 HB2 :: 3.3420 HB3 :: 3.2260 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.8513 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.32 L 0.09 C 0.06 V 0.01 C Shift Assignments>> CA :: 54.0486 CB :: 20.6376 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5930 HA :: 4.1010 HB :: 1.2380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.6308 Ave N Shift Values>> N :: 123.23(3.7) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 130 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 130 #Suspicious: 4 C Shift Results: #Consistent: 470 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 7 H Shift Results: #Consistent: 527 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 121 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: G33 H = 5.4893(S), Expected = 8.34, Std = 0.7400, ChiSquare = 1.1701e-04 D54 C = 181.9015(M), Expected = 176.41, Std = 1.7700, ChiSquare = 1.9187e-03 L78 Typing: Mistyped L78 CG = 69.3800(M), Expected = 26.77, Std = 1.2500, ChiSquare = 0.0000e+00 L78 CD1 = 68.4860(M), Expected = 24.73, Std = 1.7100, ChiSquare = 0.0000e+00 L78 CD2 = 64.9220(M), Expected = 24.10, Std = 1.7800, ChiSquare = 0.0000e+00 L78 SRO Rule Break>> CA > CG : 0.99959595959596 L78 SRO Rule Break>> CA > CD1 : 0.999638074556641 L78 SRO Rule Break>> CA > CD2 : 0.999623210248681 L78 SRO Rule Break>> CB > CG : 0.997556008146639 L78 SRO Rule Break>> CB > CD1 : 0.999257884972171 L78 SRO Rule Break>> CB > CD2 : 0.999613750482812 I79 Typing: Mistyped I79 CD1 = 78.6400(M), Expected = 13.41, Std = 1.9100, ChiSquare = 0.0000e+00 I79 SRO Rule Break>> CA > CD1 : 0.998828353837141 I79 SRO Rule Break>> CB > CD1 : 0.997048406139315 I79 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 I87 Typing: Mistyped I87 CD1 = 77.8330(M), Expected = 13.41, Std = 1.9100, ChiSquare = 0.0000e+00 I87 SRO Rule Break>> CA > CD1 : 0.998828353837141 I87 SRO Rule Break>> CB > CD1 : 0.997048406139315 I87 SRO Rule Break>> CG1 > CD1 : 0.993514915693904 R98 Typing: Mistyped R98 CG = 70.5190(M), Expected = 27.31, Std = 1.6500, ChiSquare = 0.0000e+00 R98 SRO Rule Break>> CA > CG : 0.999257609502598 R98 SRO Rule Break>> CD > CG : 0.998466257668712 A120 HB = 0.5177(S), Expected = 1.38, Std = 0.2500, ChiSquare = 5.6225e-04