Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.9772 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.9192 HA3 :: 3.9192 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Y2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 175.1852 CA :: 57.5772 CB :: 38.9752 CD1 :: 133.0652 CD2 :: 133.0652 CE1 :: 118.4692 CE2 :: 118.4692 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> HA :: 4.5002 HB2 :: 2.9202 HB3 :: 2.7422 HD1 :: 6.9452 HD2 :: 6.9452 HE1 :: 6.7192 HE2 :: 6.7192 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.7472 CA :: 56.4282 CB :: 63.5542 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9762 HA :: 4.4452 HB2 :: 3.7182 HB3 :: 3.6292 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1652 Ave N Shift Values>> N :: 116.28(3.52) 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.63 C 0.36 C Shift Assignments>> C :: 177.2812 CA :: 62.2432 CB :: 32.6372 CG :: 27.7632 CD :: 50.5782 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.6082 HB2 :: 2.1362 HB3 :: 1.9312 HG2 :: 2.0392 HG3 :: 2.0392 HD2 :: 3.6012 HD3 :: 3.6012 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.8502 CA :: 61.8532 CB :: 70.6512 CG2 :: 22.0732 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.6342 HA :: 4.2432 HB :: 4.7452 HG21 :: 1.4182 HG22 :: 1.4182 HG23 :: 1.4182 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.4402 Ave N Shift Values>> N :: 115.42(4.75) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 179.1522 CA :: 58.1272 CB :: 41.2702 CG :: 27.1102 CD1 :: 23.9992 CD2 :: 23.9992 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0262 HA :: 4.0962 HB2 :: 1.6982 HB3 :: 1.6612 HG :: 1.6382 HD11 :: 0.9442 HD12 :: 0.9442 HD13 :: 0.9442 HD21 :: 0.9442 HD22 :: 0.9442 HD23 :: 0.9442 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.8122 Ave N Shift Values>> N :: 121.86(3.9) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 Q 0.2 K 0.19 E 0.06 I 0.06 R 0.05 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 178.2192 CA :: 59.8032 CB :: 28.1372 CG :: 34.0682 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.5802 HA :: 4.1262 HB2 :: 2.1352 HB3 :: 2.1352 HG2 :: 2.4642 HG3 :: 2.4642 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.9082 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 W 0.29 H 0.07 HN Overlap>> 1.A144 1.A144 C Shift Assignments>> C :: 178.6852 CA :: 62.5792 CB :: 29.0292 CD1 :: 128.4322 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2122 HA :: 4.1552 HB2 :: 3.5092 HB3 :: 3.3782 HD1 :: 7.3862 HE1 :: 10.3452 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.7842 NE1 :: 130.9702 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 Q 0.18 K 0.15 I 0.07 R 0.06 E 0.05 P 0.01 C Shift Assignments>> C :: 178.0502 CA :: 60.0482 CB :: 27.8082 CG :: 34.0942 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3782 HA :: 3.9802 HB2 :: 2.0882 HB3 :: 2.0882 HG2 :: 2.4822 HG3 :: 2.4822 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.0242 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.23 K 0.21 R 0.08 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 179.6752 CA :: 59.0032 CB :: 28.0172 CG :: 33.9302 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.6912 HA :: 3.9182 HB2 :: 2.1172 HB3 :: 2.1172 HG2 :: 2.5272 HG3 :: 2.3772 HE21 :: 7.3432 HE22 :: 6.8222 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.4402 NE2 :: 110.5112 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.24 K 0.2 R 0.09 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.9732 CA :: 58.7562 CB :: 27.8812 CG :: 33.8302 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1522 HA :: 4.0482 HB2 :: 2.1012 HB3 :: 2.1012 HG2 :: 2.4692 HG3 :: 2.4692 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.6432 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.4 R 0.34 K 0.24 C Shift Assignments>> C :: 180.3832 CA :: 57.2482 CB :: 25.9742 CG :: 30.8512 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0602 HA :: 3.8992 HB2 :: 1.6342 HB3 :: 1.6342 HG2 :: 1.2742(S) HG3 :: 0.6082(S) HE21 :: 6.4742 HE22 :: 6.4742 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.5282 NE2 :: 111.5252 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.3352 CA :: 67.4612 CB :: 31.6682 CG1 :: 24.5732 CG2 :: 22.0312 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1212 HA :: 3.5102 HB :: 2.1942 HG11 :: 1.0252 HG12 :: 1.0252 HG13 :: 1.0252 HG21 :: 1.1132 HG22 :: 1.1132 HG23 :: 1.1132 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.0912 Ave N Shift Values>> N :: 121.14(4.54) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 C Shift Assignments>> C :: 181.0952 CA :: 55.3992 CB :: 17.8942 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8212 HA :: 4.2142 HB1 :: 1.5182 HB2 :: 1.5182 HB3 :: 1.5182 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.1582 Ave N Shift Values>> N :: 123.23(3.54) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 R 0.07 E 0.06 I 0.02 M 0.01 C Shift Assignments>> C :: 178.5272 CA :: 58.5542 CB :: 28.2922 CG :: 33.9002 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1832 HA :: 4.1302 HB2 :: 2.1232 HB3 :: 2.1232 HG2 :: 2.5102 HG3 :: 2.5102 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.3562 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.23 F 0.22 HN Overlap>> 1.C170 1.C170 C Shift Assignments>> C :: 177.0322 CA :: 60.2962 CB :: 39.8762 CD1 :: 133.1052 CD2 :: 133.1052 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.2272 HA :: 4.4142 HB2 :: 3.1272 HB3 :: 2.6602 HD1 :: 6.8302 HD2 :: 6.8302 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.2282 Ave N Shift Values>> N :: 120.45(4.18) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.C54 1.C54 C Shift Assignments>> C :: 177.3822 CA :: 62.1412 CB :: 62.8152 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2222 HA :: 3.8312 HB2 :: 4.1832 HB3 :: 4.1832 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.3222 Ave N Shift Values>> N :: 116.28(3.52) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 1.Q79 1.Q79 C Shift Assignments>> C :: 176.0282 CA :: 66.6682 CB :: 68.5902 CG2 :: 22.2242 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.5292 HA :: 3.9192 HB :: 4.3062 HG21 :: 1.2372 HG22 :: 1.2372 HG23 :: 1.2372 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.3302 Ave N Shift Values>> N :: 115.42(4.75) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 178.4492 CA :: 67.1932 CB :: 31.8562 CG1 :: 20.9912 CG2 :: 22.7932 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9672 HA :: 3.6342 HB :: 2.1912 HG11 :: 0.9292 HG12 :: 0.9292 HG13 :: 0.9292 HG21 :: 1.2582 HG22 :: 1.2582 HG23 :: 1.2582 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.5372 Ave N Shift Values>> N :: 121.14(4.54) 1.R20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.68 R 0.19 K 0.11 C Shift Assignments>> C :: 179.3502 CA :: 60.0022 CB :: 30.3912 CG :: 27.1032 CD :: 41.4922 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2132 HA :: 3.5332 HB2 :: 1.7802 HB3 :: 1.4682 HG2 :: 1.6432 HG3 :: 0.4392(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.4812 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.24 K 0.22 E 0.06 R 0.06 I 0.03 M 0.01 HN Overlap>> 1.Y175 1.Y175 C Shift Assignments>> C :: 178.7002 CA :: 58.8282 CB :: 28.2302 CG :: 34.0102 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8222 HA :: 4.0892 HB2 :: 2.1662 HB3 :: 2.1662 HG2 :: 2.4652 HG3 :: 2.4652 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1792 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 E 0.16 F 0.14 N 0.12 M 0.05 I 0.03 D 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 178.1002 CA :: 56.0522 CB :: 37.5262 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.9382 HA :: 4.3342 HB2 :: 2.5832 HB3 :: 2.5832 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.0542 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V23 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 :: 178.1032 CA :: 66.9072 CB :: 31.5752 CG1 :: 21.2182 CG2 :: 24.0142 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5252 HA :: 3.6992 HB :: 2.1982 HG11 :: 0.9302 HG12 :: 0.9302 HG13 :: 0.9302 HG21 :: 1.0442 HG22 :: 1.0442 HG23 :: 1.0442 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.2512 Ave N Shift Values>> N :: 121.14(4.54) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.23 C 0.15 D 0.1 N 0.09 L 0.06 I 0.05 E 0.01 C Shift Assignments>> C :: 178.0862 CA :: 56.5012 CB :: 38.9542 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.7852 HA :: 4.4342 HB2 :: 2.8502 HB3 :: 2.8502 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.0502 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.47 R 0.04 C Shift Assignments>> C :: 178.5862 CA :: 59.1382 CB :: 32.8842 CG :: 24.7682 CD :: 29.3842 CE :: 41.7572 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2832 HA :: 4.0432 HB2 :: 1.7792 HB3 :: 1.5112 HG2 :: 1.2662 HG3 :: 1.0332 HD2 :: 1.5392 HD3 :: 1.5392 HE2 :: 2.8402 HE3 :: 2.8402 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.4252 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.35 W 0.34 C 0.29 C Shift Assignments>> C :: 175.9552 CA :: 56.4612 CB :: 31.1242 CD2 :: 120.1972 CE1 :: 138.4402 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.6562 HA :: 5.1222 HB2 :: 3.6712 HB3 :: 3.4502 HD2 :: 6.9002 HE1 :: 7.7572 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.2002 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 G 0.18 R 0.17 K 0.03 C Shift Assignments>> C :: 177.9342 CA :: 61.2632 CB :: 30.3982 CG :: 28.9722 CD :: 43.5912 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8262 HA :: 4.2622 HB2 :: 2.3332 HB3 :: 1.9762 HG2 :: 1.9682 HG3 :: 1.7192 HD2 :: 3.4332 HD3 :: 3.3722 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.6482 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.5282 CA :: 61.9742 CB :: 62.3892 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.7932 HA :: 4.1012 HB2 :: 3.9692 HB3 :: 3.9692 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.2832 Ave N Shift Values>> N :: 116.28(3.52) 1.H29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 C 0.34 H 0.27 HN Overlap>> 1.D46 1.D46 C Shift Assignments>> C :: 177.8902 CA :: 59.2622 CB :: 29.2352 CE1 :: 137.5602 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.8772 HA :: 4.0862 HB2 :: 2.9462 HB3 :: 2.9462 HD2 :: 7.0272 HE1 :: 7.3892 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 121.3222 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 W 0.35 H 0.21 C Shift Assignments>> C :: 178.2752 CA :: 60.3682 CB :: 29.6882 CD1 :: 128.3502 CH2 :: 122.7542 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.8952 HA :: 4.1882 HB2 :: 3.1032 HB3 :: 3.1032 HD1 :: 7.5542 HE1 :: 10.4712 HZ2 :: 7.3332 HH2 :: 7.1892 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.2172 NE1 :: 128.3712 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 C Shift Assignments>> C :: 176.3172 CA :: 58.5492 CB :: 32.2442 CG :: 24.9632 CD :: 29.4082 CE :: 42.0512 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5192 HA :: 4.0852 HB2 :: 1.8032 HB3 :: 1.8032 HG2 :: 1.4162 HG3 :: 1.4162 HD2 :: 1.6682 HD3 :: 1.6682 HE2 :: 2.9532 HE3 :: 2.9532 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.7372 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6632 CA :: 58.8162 CB :: 64.0642 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.2792 HA :: 4.4042 HB2 :: 3.8832 HB3 :: 3.8832 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.4372 Ave N Shift Values>> N :: 116.28(3.52) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 Q 0.3 C 0.21 M 0.08 R 0.07 E 0.01 C Shift Assignments>> C :: 175.6752 CA :: 54.5982 CB :: 29.0162 CG :: 33.1082 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.2142 HA :: 4.1432 HB2 :: 2.1462 HB3 :: 1.9492 HG2 :: 2.2122 HG3 :: 2.0702 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.0652 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.06 M 0.05 R 0.04 C Shift Assignments>> C :: 176.2522 CA :: 56.2792 CB :: 29.1232 CG :: 33.7472 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.6152 HA :: 4.1682 HB2 :: 2.0222 HB3 :: 2.0222 HG2 :: 2.3972 HG3 :: 2.3972 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.7902 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.21 G 0.08 R 0.01 A 0.01 C Shift Assignments>> C :: 177.3272 CA :: 54.3672 CB :: 43.2722 CG :: 26.8262 CD1 :: 24.1962 CD2 :: 24.1962 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4782 HA :: 4.3932 HB2 :: 1.6082 HB3 :: 1.5552 HG :: 1.6732 HD11 :: 0.8512 HD12 :: 0.8512 HD13 :: 0.8512 HD21 :: 0.8512 HD22 :: 0.8512 HD23 :: 0.8512 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.9012 Ave N Shift Values>> N :: 121.86(3.9) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.19 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.03 C Shift Assignments>> C :: 177.4252 CA :: 55.0882 CB :: 41.9682 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.5752 HA :: 4.5272 HB2 :: 2.7462 HB3 :: 2.7462 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.3372 Ave N Shift Values>> N :: 120.65(3.86) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q7 1.Q7 C Shift Assignments>> C :: 174.6322 CA :: 60.4652 CB :: 63.1702 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5572 HA :: 4.2022 HB2 :: 3.9392 HB3 :: 3.9392 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8912 Ave N Shift Values>> N :: 116.28(3.52) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.12 C 0.11 Y 0.09 F 0.08 L 0.03 E 0.01 M 0.01 HN Overlap>> 1.Y122 1.Y122 C Shift Assignments>> C :: 174.7532 CA :: 53.6732 CB :: 38.3342 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.6202 HA :: 4.6722 HB2 :: 2.9632 HB3 :: 2.8512 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.0462 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 174.8932 CA :: 62.5492 CB :: 31.8792 CG1 :: 21.2162 CG2 :: 21.5092 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7982 HA :: 3.7872 HB :: 2.1352 HG11 :: 0.8512 HG12 :: 0.8512 HG13 :: 0.8512 HG21 :: 0.6652 HG22 :: 0.6652 HG23 :: 0.6652 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.4042 Ave N Shift Values>> N :: 121.14(4.54) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.7982 CA :: 60.7952 CB :: 69.5482 CG2 :: 21.4242 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2062 HA :: 4.2312 HB :: 3.8802 HG21 :: 0.9922 HG22 :: 0.9922 HG23 :: 0.9922 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.7512 Ave N Shift Values>> N :: 115.42(4.75) 1.M41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.31 C 0.21 C Shift Assignments>> C :: 172.9952 CA :: 53.7142 CB :: 32.1752 CG :: 32.2362 CE :: 17.1812 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.5712 HA :: 3.3302 HB2 :: 2.1612 HB3 :: 2.0222 HG2 :: 1.6202 HG3 :: 1.6202 HE1 :: 2.1482 HE2 :: 2.1482 HE3 :: 2.1482 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 126.7302 Ave N Shift Values>> N :: 120.09(3.57) 1.P42 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.69 P 0.29 G 0.01 C Shift Assignments>> C :: 175.4962 CA :: 61.5362 CB :: 30.4772 CG :: 26.5822 CD :: 48.8102 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.0712 HB2 :: 1.7952 HB3 :: 0.4422(S) HG2 :: 0.8782(S) HG3 :: -0.1008(S) HD2 :: 2.3482(S) HD3 :: 0.3352(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HD3 > HG2 : 0.9928) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.16 C Shift Assignments>> C :: 179.9642 CA :: 56.6512 CB :: 32.2932 CG :: 25.4372 CD :: 28.8272 CE :: 41.9882 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.7352 HA :: 4.2522 HB2 :: 2.1582 HB3 :: 1.7112 HG2 :: 1.6342 HG3 :: 1.5692 HD2 :: 1.7282 HD3 :: 1.7282 HE2 :: 3.0262 HE3 :: 3.0262 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.6472 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1712 CA :: 63.3242 CB :: 62.8602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.0942 HA :: 4.1702 HB2 :: 3.8982 HB3 :: 3.8982 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.9292 Ave N Shift Values>> N :: 116.28(3.52) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.31 K 0.13 Q 0.09 I 0.08 M 0.01 C Shift Assignments>> C :: 175.7382 CA :: 57.5432 CB :: 28.8012 CG :: 35.9312 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3032 HA :: 4.3722 HB2 :: 2.1652 HB3 :: 1.7452 HG2 :: 2.3322 HG3 :: 2.2552 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.1372 Ave N Shift Values>> N :: 120.67(3.48) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.29 L 0.09 C 0.06 F 0.05 Y 0.04 HN Overlap>> 1.H29 1.H29 C Shift Assignments>> C :: 173.7752 CA :: 52.4452 CB :: 39.8642 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8542 HA :: 4.6262 HB2 :: 3.2742 HB3 :: 2.3712 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.2752 Ave N Shift Values>> N :: 120.65(3.86) 1.E47 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 E 0.3 K 0.11 Q 0.11 I 0.07 M 0.03 C Shift Assignments>> C :: 177.6952 CA :: 59.2412 CB :: 29.7792 CG :: 35.4032 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.3992 HA :: 2.3172(S) HB2 :: 1.6562 HB3 :: 1.4532 HG2 :: 1.9382 HG3 :: 1.7362 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.7902 Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.17 K 0.07 Q 0.03 C Shift Assignments>> C :: 179.4542 CA :: 58.8912 CB :: 29.0182 CG :: 36.3882 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5562 HA :: 3.9212 HB2 :: 1.9992 HB3 :: 1.9992 HG2 :: 2.3322 HG3 :: 2.3322 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.4052 Ave N Shift Values>> N :: 120.67(3.48) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 177.6242 CA :: 47.2912 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2742 HA2 :: 3.6392 HA3 :: 3.6392 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.7152 Ave N Shift Values>> N :: 109.67(3.87) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 178.4112 CA :: 61.9702 CB :: 30.1102 CD1 :: 128.2382 CZ2 :: 115.1562 CH2 :: 123.6472 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.4292 HA :: 4.1782 HB2 :: 3.3022 HB3 :: 3.0282 HD1 :: 7.2712 HE1 :: 8.1462 HZ2 :: 7.0962 HZ3 :: 6.4482 HH2 :: 6.7262 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.2572 NE1 :: 127.0622 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 P 0.39 R 0.11 K 0.02 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.6482 CA :: 61.3962 CB :: 32.3202 CG :: 27.1042 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9552 HA :: 3.4672 HB2 :: 1.8022 HB3 :: 1.8022 HG2 :: 1.6582 HG3 :: 1.6582 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.4302 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.33 R 0.19 HN Overlap>> 1.D112 1.D112 C Shift Assignments>> C :: 179.4912 CA :: 59.4672 CB :: 32.5542 CG :: 26.2222 CD :: 29.5262 CE :: 42.0682 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6502 HA :: 3.7532 HB2 :: 1.7592 HB3 :: 1.7592 HG2 :: 1.5252 HG3 :: 1.2982 HD2 :: 1.6642 HD3 :: 1.6642 HE2 :: 2.9182 HE3 :: 2.9182 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.6852 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 F 0.2 C 0.2 C Shift Assignments>> C :: 175.4162 CA :: 61.7822 CB :: 40.3962 CD1 :: 133.3442 CD2 :: 133.3442 CE1 :: 130.8072 CE2 :: 130.8072 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.4332 HA :: 4.1482 HB2 :: 3.0312 HB3 :: 2.8242 HD1 :: 7.1412 HD2 :: 7.1412 HE1 :: 6.8392 HE2 :: 6.8392 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.7912 Ave N Shift Values>> N :: 120.45(4.18) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.27 C 0.16 W 0.05 R 0.02 K 0.01 E 0.01 V 0.01 H 0.01 HN Overlap>> 1.S17 1.S17 C Shift Assignments>> C :: 175.1462 CA :: 62.2652 CB :: 27.8802 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1422 HA :: 4.0212 HB2 :: 2.0102 HB3 :: 1.5732 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.2762 Ave N Shift Values>> N :: 120.17(4.64) 1.L55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.39 L 0.36 C 0.23 HN Overlap>> 2.S24 2.S24 C Shift Assignments>> C :: 177.5342 CA :: 54.2522 CB :: 41.9742 CG :: 26.5072 CD1 :: 23.2352 CD2 :: 20.9562 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6832 HA :: 4.2182 HB2 :: 1.3232 HB3 :: 1.0082 HG :: 0.9152 HD11 :: -0.6808(S) HD12 :: -0.6808(S) HD13 :: -0.6808(S) HD21 :: 0.1902 HD22 :: 0.1902 HD23 :: 0.1902 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 112.7562 Ave N Shift Values>> N :: 121.86(3.9) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.3752 CA :: 44.6662 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.6142 HA2 :: 3.9432 HA3 :: 3.4892 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.0922 Ave N Shift Values>> N :: 109.67(3.87) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.2 M 0.17 K 0.14 V 0.13 P 0.02 R 0.02 H 0.02 W 0.01 E 0.01 HN Overlap>> 1.V172 1.V172 1.V150 1.V150 C Shift Assignments>> CG :: 33.7612 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3402 HG2 :: 2.3612 HG3 :: 2.3612 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.3642 Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.46 K 0.45 R 0.07 C Shift Assignments>> C :: 178.2312 CA :: 58.8852 CB :: 32.2132 CG :: 25.0712 CD :: 29.2412 CE :: 41.8662 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.1062 HB2 :: 1.8262 HB3 :: 1.8262 HG2 :: 1.4442 HG3 :: 1.4442 HE2 :: 2.9622 HE3 :: 2.9622 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 G 0.01 HN Overlap>> 1.I75 1.I75 C Shift Assignments>> C :: 178.4632 CA :: 56.1882 CB :: 42.1572 CG :: 27.8492 CD1 :: 24.4172 CD2 :: 24.4172 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.0752 HA :: 4.3852 HB2 :: 1.6332 HB3 :: 1.6332 HG :: 1.7302 HD11 :: 0.9862 HD12 :: 0.9862 HD13 :: 0.9862 HD21 :: 0.9862 HD22 :: 0.9862 HD23 :: 0.9862 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6572 Ave N Shift Values>> N :: 121.86(3.9) 1.C60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.21 W 0.11 R 0.07 K 0.06 E 0.05 Q 0.05 P 0.04 H 0.04 L 0.01 C Shift Assignments>> C :: 174.5262 CA :: 60.4722 CB :: 27.9452 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.6852 HA :: 4.5482 HB2 :: 2.9472 HB3 :: 2.7162 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.1582 Ave N Shift Values>> N :: 120.17(4.64) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.02 C Shift Assignments>> C :: 177.3912 CA :: 52.7272 CB :: 19.3542 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9282 HA :: 4.3802 HB1 :: 1.4602 HB2 :: 1.4602 HB3 :: 1.4602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1472 Ave N Shift Values>> N :: 123.23(3.54) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.08 Y 0.08 C 0.05 R 0.01 C Shift Assignments>> C :: 176.7962 CA :: 54.6302 CB :: 41.1692 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3162 HA :: 4.6082 HB2 :: 2.7032 HB3 :: 2.7032 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.6032 Ave N Shift Values>> N :: 120.65(3.86) 1.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.8652 CA :: 45.4142 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3592 HA2 :: 3.9582 HA3 :: 3.9582 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.2052 Ave N Shift Values>> N :: 109.67(3.87) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 HN Overlap>> 1.L85 1.L85 C Shift Assignments>> C :: 177.6422 CA :: 52.4642 CB :: 19.3642 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0802 HA :: 4.3712 HB1 :: 1.3972 HB2 :: 1.3972 HB3 :: 1.3972 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.5882 Ave N Shift Values>> N :: 123.23(3.54) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.3312 CA :: 62.0912 CB :: 32.9352 CG1 :: 20.9582 CG2 :: 20.9582 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1182 HA :: 4.1722 HB :: 2.1012 HG11 :: 0.9532 HG12 :: 0.9532 HG13 :: 0.9532 HG21 :: 0.9532 HG22 :: 0.9532 HG23 :: 0.9532 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.9252 Ave N Shift Values>> N :: 121.14(4.54) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.6202 CA :: 44.4732 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3112 HA2 :: 4.1782 HA3 :: 4.0082 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.6552 Ave N Shift Values>> N :: 109.67(3.87) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.8082 CA :: 63.1012 CB :: 32.2032 CG :: 27.2062 CD :: 49.8352 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4222 HB2 :: 2.2592 HB3 :: 1.9322 HG2 :: 1.9942 HG3 :: 1.9942 HD2 :: 3.6142 HD3 :: 3.6142 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 178.0262 CA :: 52.4502 CB :: 19.2402 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.4642 HA :: 4.3802 HB1 :: 1.4002 HB2 :: 1.4002 HB3 :: 1.4002 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.3482 Ave N Shift Values>> N :: 123.23(3.54) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.3552 CA :: 61.6702 CB :: 69.9712 CG2 :: 21.5482 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1662 HA :: 4.3282 HB :: 4.2412 HG21 :: 1.1832 HG22 :: 1.1832 HG23 :: 1.1832 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.1282 Ave N Shift Values>> N :: 115.42(4.75) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.19 C 0.09 F 0.08 Y 0.08 L 0.05 HN Overlap>> 1.Y103 1.Y103 C Shift Assignments>> C :: 174.9882 CA :: 53.4272 CB :: 38.9272 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4332 HA :: 4.6972 HB2 :: 2.8312 HB3 :: 2.7572 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.3192 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.11 Q 0.05 K 0.05 I 0.02 HN Overlap>> 2.D5 2.D5 C Shift Assignments>> C :: 176.1772 CA :: 56.5772 CB :: 30.4172 CG :: 36.2452 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3552 HA :: 4.2892 HB2 :: 2.0542 HB3 :: 1.9242 HG2 :: 2.2152 HG3 :: 2.2152 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.8682 Ave N Shift Values>> N :: 120.67(3.48) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L125 1.L125 C Shift Assignments>> C :: 172.6942 CA :: 56.1982 CB :: 63.4072 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.3262 HA :: 4.7402 HB2 :: 3.8482 HB3 :: 3.8062 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.8332 Ave N Shift Values>> N :: 116.28(3.52) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.2652 CA :: 63.4222 CB :: 32.0822 CG :: 27.2242 CD :: 50.6682 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4292 HB2 :: 2.2532 HB3 :: 1.9482 HG2 :: 1.9972 HG3 :: 1.9972 HD2 :: 3.7622 HD3 :: 3.7092 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.5902 CA :: 45.0592 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2582 HA2 :: 3.8962 HA3 :: 3.8962 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.8372 Ave N Shift Values>> N :: 109.67(3.87) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 175.2752 CA :: 60.8782 CB :: 38.6252 CG1 :: 27.1052 CG2 :: 17.5252 CD1 :: 13.0192 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9752 HA :: 4.0012 HB :: 1.6542 HG12 :: 1.3192 HG13 :: 1.0122 HG21 :: 0.5832 HG22 :: 0.5832 HG23 :: 0.5832 HD11 :: 0.7832 HD12 :: 0.7832 HD13 :: 0.7832 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6912 Ave N Shift Values>> N :: 121.46(4.28) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.19 N 0.18 F 0.07 K 0.06 C 0.05 Y 0.05 C Shift Assignments>> C :: 176.5152 CA :: 53.2502 CB :: 40.9852 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1412 HA :: 4.5522 HB2 :: 2.6852 HB3 :: 2.4792 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.5832 Ave N Shift Values>> N :: 120.65(3.86) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 HN Overlap>> 1.E149 1.E149 C Shift Assignments>> C :: 177.2142 CA :: 58.5772 CB :: 36.9112 CD1 :: 133.0372 CD2 :: 133.0372 CE1 :: 118.1782 CE2 :: 118.1782 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.0562 HA :: 4.1352 HB2 :: 2.0772 HB3 :: 1.9102 HD1 :: 6.9812 HD2 :: 6.9812 HE1 :: 6.7482 HE2 :: 6.7482 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.4142 Ave N Shift Values>> N :: 120.52(4.2) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 HN Overlap>> 1.L101 1.L101 C Shift Assignments>> CA :: 64.8612 CB :: 31.7682 CG1 :: 21.4982 CG2 :: 22.2262 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.8862 HA :: 3.8292 HB :: 2.1322 HG11 :: 0.9022 HG12 :: 0.9022 HG13 :: 0.9022 HG21 :: 1.0192 HG22 :: 1.0192 HG23 :: 1.0192 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.3352 Ave N Shift Values>> N :: 121.14(4.54) 1.Q79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.24 E 0.08 M 0.06 R 0.01 HN Overlap>> 1.T18 1.T18 C Shift Assignments>> CA :: 57.9392 CB :: 29.6892 CG :: 33.8032 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.6212 HA :: 4.2002 HB2 :: 2.1012 HB3 :: 2.1012 HG2 :: 2.3272 HG3 :: 2.3272 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.3042 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.6882 CA :: 61.9282 CB :: 39.3162 CG1 :: 26.1752 CG2 :: 17.9792 CD1 :: 14.1042 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.8822 HA :: 4.3942 HB :: 2.0502 HG12 :: 1.5432 HG13 :: 1.0222 HG21 :: 0.8812 HG22 :: 0.8812 HG23 :: 0.8812 HD11 :: 0.7892 HD12 :: 0.7892 HD13 :: 0.7892 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.0152 Ave N Shift Values>> N :: 121.46(4.28) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.6152 CA :: 44.2822 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8182 HA2 :: 3.6942 HA3 :: 3.2482 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.3212 Ave N Shift Values>> N :: 109.67(3.87) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 F 0.42 HN Overlap>> 1.V97 1.V97 C Shift Assignments>> C :: 176.9782 CB :: 38.8482 CD1 :: 132.5932 CD2 :: 132.5932 CE1 :: 131.4192 CE2 :: 131.4192 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.6472 HA :: 4.1882 HB2 :: 2.4202 HB3 :: 2.0332 HD1 :: 6.7282 HD2 :: 6.7282 HE1 :: 7.1122 HE2 :: 7.1122 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.1882 Ave N Shift Values>> N :: 120.45(4.18) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 C 0.03 L 0.02 C Shift Assignments>> CG :: 26.1712 CD :: 49.4552 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HG2 :: 1.9182 HG3 :: 1.7202 HD2 :: 3.3662 HD3 :: 3.1712 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P84 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.97 G 0.02 C Shift Assignments>> C :: 174.1332 CA :: 61.5752 CG :: 30.9472(S) CD :: 48.6692 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HG2 :: 2.1422 HG3 :: 1.5002 HD2 :: 2.7862 HD3 :: 2.1292(S) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) SRO Rule Breaks>> (HD3 > HG2 : 0.9928) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.21 A 0.19 HN Overlap>> 1.A64 1.A64 C Shift Assignments>> C :: 178.3672 CA :: 54.0632 CB :: 40.9902 CG :: 26.7122 CD1 :: 24.5332 CD2 :: 21.8992 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1232 HA :: 3.9502 HB2 :: 1.7652 HB3 :: 1.2742 HG :: 1.5352 HD11 :: 0.9242 HD12 :: 0.9242 HD13 :: 0.9242 HD21 :: 0.5602 HD22 :: 0.5602 HD23 :: 0.5602 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.6092 Ave N Shift Values>> N :: 121.86(3.9) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 L 0.42 C Shift Assignments>> CA :: 58.8072 CB :: 40.2762 CG :: 27.3842 CD1 :: 25.8702 CD2 :: 23.7372 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7952 HA :: 3.8282 HB2 :: 1.1742 HB3 :: 0.3592 HG :: 1.4002 HD11 :: 0.5382 HD12 :: 0.5382 HD13 :: 0.5382 HD21 :: 0.6752 HD22 :: 0.6752 HD23 :: 0.6752 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.5722 Ave N Shift Values>> N :: 121.86(3.9) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.6422 CA :: 60.9872 CB :: 61.7412 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HB2 :: 3.9352 HB3 :: 3.9352 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.8772 CA :: 64.3612 CB :: 39.6462 CG1 :: 28.8372 CG2 :: 17.2192 CD1 :: 13.8512 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.9842 HA :: 4.1492 HB :: 2.1162 HG12 :: 1.8942 HG13 :: 1.0432 HG21 :: 1.3432 HG22 :: 1.3432 HG23 :: 1.3432 HD11 :: 1.1822 HD12 :: 1.1822 HD13 :: 1.1822 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6052 Ave N Shift Values>> N :: 121.46(4.28) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 179.8932 CA :: 65.0752 CB :: 30.9862 CG1 :: 22.2732 CG2 :: 19.9172 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.4972 HA :: 4.2432 HB :: 2.5142 HG11 :: 0.8412 HG12 :: 0.8412 HG13 :: 0.8412 HG21 :: 0.7412 HG22 :: 0.7412 HG23 :: 0.7412 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 110.7972 Ave N Shift Values>> N :: 121.14(4.54) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.9842 CA :: 62.2532 CB :: 63.3382 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5882 HA :: 4.1742 HB2 :: 3.8602 HB3 :: 3.8602 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.5632 Ave N Shift Values>> N :: 116.28(3.52) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.28 R 0.22 M 0.09 Q 0.08 C Shift Assignments>> C :: 176.0212 CA :: 56.2032 CB :: 31.5152 CG :: 28.6742 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.2382 HA :: 4.2432 HB2 :: 2.0032 HB3 :: 2.0032 HG2 :: 1.7672 HG3 :: 1.7672 HD2 :: 2.8252 HD3 :: 2.8252 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.2022 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.38 A 0.18 C Shift Assignments>> C :: 175.7342 CA :: 55.8302 CB :: 34.7382 CG :: 32.2152 CE :: 18.3622 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.3492 HA :: 4.4162 HB2 :: 2.1272 HB3 :: 1.8902 HG2 :: 2.3052 HG3 :: 2.3052 HE1 :: 1.6632 HE2 :: 1.6632 HE3 :: 1.6632 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.4792 Ave N Shift Values>> N :: 120.09(3.57) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.13 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.01 C Shift Assignments>> C :: 175.0222 CA :: 51.6252 CB :: 37.5332 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.7782 HA :: 4.7502 HB2 :: 3.4792 HB3 :: 3.1072 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 123.1862 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 Q 0.19 K 0.18 E 0.15 I 0.07 R 0.02 HN Overlap>> 1.L121 1.L121 C Shift Assignments>> C :: 178.7142 CA :: 59.0632 CB :: 28.3472 CG :: 34.7792 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.8202 HA :: 3.8932 HB2 :: 2.0772 HB3 :: 2.0772 HG2 :: 2.5322 HG3 :: 2.5322 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.9292 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.33 I 0.03 C 0.02 C Shift Assignments>> C :: 180.1982 CA :: 55.1112 CB :: 17.6592 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5432 HA :: 4.0442 HB1 :: 1.4032 HB2 :: 1.4032 HB3 :: 1.4032 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9622 Ave N Shift Values>> N :: 123.23(3.54) 1.T96 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 :: 174.7502 CA :: 67.3932 CB :: 68.1052 CG2 :: 21.4182 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.2862 HA :: 3.7102 HB :: 4.1692 HG21 :: 1.0212 HG22 :: 1.0212 HG23 :: 1.0212 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.2792 Ave N Shift Values>> N :: 115.42(4.75) 1.V97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 176.8822 CA :: 67.5272 CB :: 32.1232 CG1 :: 22.7052 CG2 :: 23.7762 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.6412 HA :: 3.1862 HB :: 2.0182 HG11 :: 0.7922 HG12 :: 0.7922 HG13 :: 0.7922 HG21 :: 0.8992 HG22 :: 0.8992 HG23 :: 0.8992 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.2392 Ave N Shift Values>> N :: 121.14(4.54) 1.T98 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 :: 175.6662 CA :: 67.5332 CB :: 68.2482 CG2 :: 21.5812 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.7452 HA :: 3.4592 HB :: 4.1162 HG21 :: 1.0212 HG22 :: 1.0212 HG23 :: 1.0212 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.8942 Ave N Shift Values>> N :: 115.42(4.75) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.Q178 1.Q178 C Shift Assignments>> C :: 173.2262 CA :: 62.7462 CB :: 68.1622 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8642 HA :: 3.7132 HB2 :: 4.1652 HB3 :: 4.1652 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.6862 Ave N Shift Values>> N :: 116.28(3.52) 1.V100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 2.K20 2.K20 C Shift Assignments>> C :: 177.8452 CA :: 66.9582 CB :: 30.1142 CG1 :: 22.8572 CG2 :: 20.8482 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1852 HA :: 2.9002 HB :: 1.3162 HG11 :: 0.3752 HG12 :: 0.3752 HG13 :: 0.3752 HG21 :: -0.7728(S) HG22 :: -0.7728(S) HG23 :: -0.7728(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.0002 Ave N Shift Values>> N :: 121.14(4.54) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.03 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 178.9742 CA :: 58.5512 CB :: 41.6362 CG :: 27.0242 CD1 :: 24.5192 CD2 :: 25.6402 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.9602 HA :: 3.8212 HB2 :: 1.7282 HB3 :: 1.6892 HG :: 1.5272 HD11 :: 0.7832 HD12 :: 0.7832 HD13 :: 0.7832 HD21 :: 0.7412 HD22 :: 0.7412 HD23 :: 0.7412 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.3292 Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.19 E 0.18 K 0.1 Q 0.08 R 0.01 HN Overlap>> 2.F25 2.F25 C Shift Assignments>> C :: 178.1342 CA :: 59.9922 CB :: 28.1552 CG :: 35.3792 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7842 HA :: 4.3992 HB2 :: 2.2102 HB3 :: 1.9322 HG2 :: 2.2172 HG3 :: 2.2172 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.8062 Ave N Shift Values>> N :: 120.67(3.48) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 Y 0.05 W 0.01 HN Overlap>> 1.N70 1.N70 C Shift Assignments>> C :: 179.8722 CA :: 57.8212 CB :: 36.7862 CE1 :: 114.8832 CE2 :: 114.8832 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.4362 HA :: 4.6572 HB2 :: 3.2432 HB3 :: 3.0292 HD1 :: 7.2382 HD2 :: 7.2382 HE1 :: 7.4542 HE2 :: 7.4542 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.4102 Ave N Shift Values>> N :: 120.52(4.2) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.28 A 0.05 R 0.01 C Shift Assignments>> C :: 179.5372 CA :: 57.6332 CB :: 40.8662 CG :: 26.6152 CD1 :: 26.0062 CD2 :: 20.5532 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.9722 HA :: 4.2262 HB2 :: 1.7892 HB3 :: 1.3012 HG :: 1.8882 HD11 :: 0.7452 HD12 :: 0.7452 HD13 :: 0.7452 HD21 :: 0.4972 HD22 :: 0.4972 HD23 :: 0.4972 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4342 Ave N Shift Values>> N :: 121.86(3.9) 1.S105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.6632 CA :: 62.9392 CB :: 62.7822 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.6132 HA :: 4.3452 HB2 :: 4.0572 HB3 :: 4.0572 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.1482 Ave N Shift Values>> N :: 116.28(3.52) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.23 C 0.23 Y 0.13 N 0.13 F 0.09 M 0.08 I 0.02 K 0.02 D 0.01 C Shift Assignments>> C :: 178.8042 CA :: 55.6382 CB :: 36.9522 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.9372 HA :: 4.5332 HB2 :: 3.3232 HB3 :: 3.0182 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.4932 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.26 C 0.25 W 0.14 V 0.08 E 0.05 K 0.04 R 0.04 H 0.03 P 0.03 Q 0.02 C Shift Assignments>> C :: 177.9742 CA :: 61.5752 CB :: 29.5152 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.0972 HA :: 4.2822 HB2 :: 3.1922 HB3 :: 3.1922 HE1 :: 11.5112 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.6142 NE1 :: 120.1722(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.22 C 0.19 K 0.15 E 0.06 H 0.03 R 0.03 W 0.01 Y 0.01 C Shift Assignments>> C :: 176.9842 CA :: 55.4532 CB :: 34.3682 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.7662 HA :: 4.5232 HB2 :: 2.4052 HB3 :: 2.0482 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.5522 Ave N Shift Values>> N :: 120.45(4.18) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 173.5372 CA :: 46.9272 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.2742 HA2 :: 3.9912 HA3 :: 3.5082 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.5652 Ave N Shift Values>> N :: 109.67(3.87) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 M 0.3 E 0.29 Q 0.04 C Shift Assignments>> C :: 175.8192 CA :: 55.3432 CB :: 31.8022 CG :: 35.9982 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.0802 HA :: 4.4742 HB2 :: 2.0662 HB3 :: 1.8002 HG2 :: 2.1442 HG3 :: 2.1442 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.6252 Ave N Shift Values>> N :: 120.67(3.48) 1.R111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.35 R 0.34 K 0.28 G 0.01 C Shift Assignments>> C :: 173.8252 CA :: 54.2142 CB :: 32.0102 CG :: 26.6392 CD :: 42.0352 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3512 HA :: 4.4742 HB2 :: 1.2722 HB3 :: 0.5812(S) HG2 :: 0.8592 HG3 :: 0.2992(S) HD2 :: 2.5432 HD3 :: 2.0112(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.6452 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.29 R 0.1 K 0.1 N 0.06 C 0.04 F 0.04 Y 0.02 G 0.01 HN Overlap>> 1.K52 1.K52 C Shift Assignments>> C :: 175.5512 CA :: 52.8862 CB :: 42.3472 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.6352 HA :: 4.8152 HB2 :: 2.7212 HB3 :: 2.6522 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.7722 Ave N Shift Values>> N :: 120.65(3.86) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.75 C 0.24 C Shift Assignments>> C :: 174.7032 CA :: 60.1712 CB :: 40.8922 CD1 :: 131.1982 CD2 :: 131.1982 CE1 :: 131.2742 CE2 :: 131.2742 CZ :: 129.1562 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.0162 HA :: 4.0322 HB2 :: 3.2382 HB3 :: 2.7742 HD1 :: 6.8212 HD2 :: 6.8212 HE1 :: 7.5272 HE2 :: 7.5272 HZ :: 7.1722 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.5792 Ave N Shift Values>> N :: 120.45(4.18) 1.T114 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.56 C 0.41 A 0.01 C Shift Assignments>> C :: 173.4132 CA :: 57.9532 CB :: 70.3422 CG2 :: 22.3842 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 5.7602(S) HA :: 4.8912 HB :: 4.6042 HG21 :: 1.3632 HG22 :: 1.3632 HG23 :: 1.3632 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.5522 Ave N Shift Values>> N :: 115.42(4.75) 1.P115 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 :: 177.2412 CA :: 65.2672 CB :: 32.1542 CG :: 28.1492 CD :: 50.8612 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2512 HB2 :: 2.5452 HB3 :: 1.8172 HG2 :: 2.1212 HG3 :: 2.1212 HD2 :: 3.8852 HD3 :: 3.8852 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.33 E 0.07 C Shift Assignments>> C :: 179.2932 CA :: 61.1742 CB :: 28.3432 CG :: 37.5942 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.9702 HA :: 3.8522 HB2 :: 1.9712 HB3 :: 1.8512 HG2 :: 2.6532 HG3 :: 2.2132 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.8082 Ave N Shift Values>> N :: 120.67(3.48) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.39 R 0.11 C Shift Assignments>> C :: 178.1092 CA :: 57.5882 CB :: 41.8052 CG :: 27.0332 CD1 :: 23.9462 CD2 :: 26.9192 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.9782 HA :: 3.8482 HB2 :: 1.2682 HB3 :: 1.2682 HG :: 1.1632 HD11 :: 0.9222 HD12 :: 0.9222 HD13 :: 0.9222 HD21 :: 0.5992 HD22 :: 0.5992 HD23 :: 0.5992 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9462 Ave N Shift Values>> N :: 121.86(3.9) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.67 A 0.14 N 0.06 G 0.04 C 0.03 D 0.01 C Shift Assignments>> C :: 174.5642 CA :: 48.8682 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0002 HA2 :: 4.2832 HA3 :: 3.4992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.4032 Ave N Shift Values>> N :: 109.67(3.87) 1.R119 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.35 R 0.09 C Shift Assignments>> C :: 179.3272 CA :: 59.7722 CB :: 29.4602 CG :: 29.0462 CD :: 44.5022 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1652 HA :: 2.8902 HB2 :: 1.3042 HB3 :: 1.3042 HG2 :: 1.1532 HG3 :: 0.8222 HD2 :: 2.9952 HD3 :: 2.7802 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.3092 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HA > HD2 : 0.9912) 1.W120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 W 0.38 C Shift Assignments>> C :: 178.2372 CA :: 62.8102 CB :: 30.0512 CD1 :: 126.4712 CE3 :: 120.4782 CZ2 :: 116.1242 CZ3 :: 121.9302 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.1212 HA :: 3.9582 HB2 :: 3.0892 HB3 :: 3.0892 HD1 :: 7.1492 HE1 :: 11.0672 HE3 :: 7.4422 HZ2 :: 7.4552 HZ3 :: 6.8222 HH2 :: 7.1422 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.7412 NE1 :: 131.5652 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.39 K 0.06 G 0.01 HN Overlap>> 1.Q94 1.Q94 C Shift Assignments>> C :: 178.1462 CA :: 58.6892 CB :: 42.0802 CD1 :: 26.5102 CD2 :: 23.0462 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8332 HA :: 4.0112 HB2 :: 2.2062 HB3 :: 1.2232 HD11 :: 0.7812 HD12 :: 0.7812 HD13 :: 0.7812 HD21 :: 0.8632 HD22 :: 0.8632 HD23 :: 0.8632 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.9522 Ave N Shift Values>> N :: 121.86(3.9) 1.Y122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.23 HN Overlap>> 1.N38 1.N38 C Shift Assignments>> C :: 176.1292 CA :: 62.6162 CB :: 40.4572 CD1 :: 133.1602 CD2 :: 133.1602 CE1 :: 118.2862 CE2 :: 118.2862 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.6812 HA :: 3.8022 HB2 :: 3.1972 HB3 :: 3.0462 HD1 :: 6.8362 HD2 :: 6.8362 HE1 :: 6.5152 HE2 :: 6.5152 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.9892 Ave N Shift Values>> N :: 120.52(4.2) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.14 L 0.11 C 0.1 V 0.04 T 0.01 C Shift Assignments>> C :: 179.0652 CA :: 55.2652 CB :: 20.3032 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1832 HA :: 3.9032 HB1 :: 1.3272 HB2 :: 1.3272 HB3 :: 1.3272 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.7012 Ave N Shift Values>> N :: 123.23(3.54) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.27 R 0.02 C Shift Assignments>> C :: 179.7272 CA :: 58.4552 CB :: 41.0902 CG :: 25.7592 CD1 :: 25.9982 CD2 :: 26.9142 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.6172 HA :: 4.0182 HB2 :: 2.0612 HB3 :: 2.0612 HG :: 1.2622 HD11 :: 0.7762 HD12 :: 0.7762 HD13 :: 0.7762 HD21 :: 0.8492 HD22 :: 0.8492 HD23 :: 0.8492 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.5712 Ave N Shift Values>> N :: 121.86(3.9) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 R 0.01 HN Overlap>> 1.S72 1.S72 C Shift Assignments>> C :: 179.9572 CA :: 58.2892 CB :: 41.1982 CG :: 26.9192 CD1 :: 25.8022 CD2 :: 22.7452 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3422 HA :: 4.0332 HB2 :: 2.2272 HB3 :: 2.2272 HG :: 2.0542 HD11 :: 0.7442 HD12 :: 0.7442 HD13 :: 0.7442 HD21 :: 0.5762 HD22 :: 0.5762 HD23 :: 0.5762 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7672 Ave N Shift Values>> N :: 121.86(3.9) 1.A126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.02 C 0.01 C Shift Assignments>> C :: 177.2572 CA :: 54.6292 CB :: 17.5262 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.5482 HA :: 3.6342 HB1 :: 1.2822 HB2 :: 1.2822 HB3 :: 1.2822 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1572 Ave N Shift Values>> N :: 123.23(3.54) 1.C127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 I 0.22 W 0.15 E 0.08 K 0.07 H 0.05 R 0.05 Q 0.05 V 0.03 P 0.01 C Shift Assignments>> C :: 175.4432 CA :: 60.7302 CB :: 29.1762 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.3452 HA :: 4.2152 HB2 :: 3.0102 HB3 :: 3.0102 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 112.0952 Ave N Shift Values>> N :: 120.17(4.64) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.26 G 0.06 R 0.02 C Shift Assignments>> C :: 176.7002 CA :: 55.5412 CB :: 43.1272 CG :: 25.9812 CD1 :: 24.2692 CD2 :: 25.1292 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.3932 HA :: 4.4432 HB2 :: 1.7812 HB3 :: 1.6862 HG :: 1.7032 HD11 :: 0.6792 HD12 :: 0.6792 HD13 :: 0.6792 HD21 :: 0.5332 HD22 :: 0.5332 HD23 :: 0.5332 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.8372 Ave N Shift Values>> N :: 121.86(3.9) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.14 Q 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 175.0482 CA :: 56.5992 CB :: 30.8682 CG :: 36.5602 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.8472 HA :: 4.2872 HB2 :: 1.9482 HB3 :: 1.7662 HG2 :: 2.3392 HG3 :: 2.3392 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 127.1562 Ave N Shift Values>> N :: 120.67(3.48) 1.K130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.35 Q 0.11 R 0.08 C Shift Assignments>> C :: 175.1512 CA :: 54.2112 CB :: 33.6332 CG :: 25.4722 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.3492 HA :: 4.4422 HB2 :: 1.8532 HB3 :: 1.6432 HG2 :: 1.4622 HG3 :: 1.4622 HE2 :: 2.7852 HE3 :: 2.7852 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2842 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.9 P 0.08 C Shift Assignments>> C :: 175.7132 CA :: 61.8202 CB :: 34.3132 CG :: 25.0282 CD :: 50.6702 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.5122 HB2 :: 2.4152 HB3 :: 2.0342 HG2 :: 1.9362 HG3 :: 1.9362 HD2 :: 3.5382 HD3 :: 3.5382 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 R 0.22 G 0.02 C Shift Assignments>> C :: 178.5582 CA :: 55.0792 CB :: 42.5832 CG :: 27.7812 CD1 :: 26.3292 CD2 :: 23.9862 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7162 HA :: 4.3652 HB2 :: 1.5712 HB3 :: 1.5712 HG :: 1.8622 HD11 :: 0.9062 HD12 :: 0.9062 HD13 :: 0.9062 HD21 :: 0.8132 HD22 :: 0.8132 HD23 :: 0.8132 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.6472 Ave N Shift Values>> N :: 121.86(3.9) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.27 A 0.11 C Shift Assignments>> C :: 176.4062 CA :: 53.8122 CB :: 40.2022 CG :: 27.6322 CD1 :: 25.1172 CD2 :: 22.7062 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.0302 HA :: 4.5632 HB2 :: 1.8372 HB3 :: 1.6502 HG :: 1.9372 HD11 :: 0.9812 HD12 :: 0.9812 HD13 :: 0.9812 HD21 :: 1.0022 HD22 :: 1.0022 HD23 :: 1.0022 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.5332 Ave N Shift Values>> N :: 121.86(3.9) 1.P134 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 :: 179.4492 CA :: 66.3502 CB :: 31.9572 CG :: 27.7272 CD :: 50.1962 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.2952 HB2 :: 2.4012 HB3 :: 1.9342 HG2 :: 1.9662 HG3 :: 1.9662 HD2 :: 3.9012 HD3 :: 3.8412 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.32 E 0.24 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.7712 CA :: 59.8862 CB :: 28.5162 CG :: 36.5802 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.5762 HA :: 4.1212 HB2 :: 2.0042 HB3 :: 1.9492 HG2 :: 2.3692 HG3 :: 2.2872 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.8972 Ave N Shift Values>> N :: 120.67(3.48) 1.A136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.28 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 178.4642 CA :: 54.7862 CB :: 19.2942 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.3632 HA :: 4.0632 HB1 :: 1.5482 HB2 :: 1.5482 HB3 :: 1.5482 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.4902 Ave N Shift Values>> N :: 123.23(3.54) 1.H137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 W 0.33 H 0.27 HN Overlap>> 1.R145 1.R145 C Shift Assignments>> C :: 176.5482 CA :: 60.0352 CB :: 30.6362 CD2 :: 118.4872 CE1 :: 138.5532 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.1602 HA :: 4.0032 HB2 :: 3.3322 HB3 :: 3.0712 HD2 :: 6.8932 HE1 :: 7.8752 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.0352 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.6042 CA :: 61.5622 CB :: 62.6592 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9522 HA :: 4.0552 HB2 :: 3.9532 HB3 :: 3.9532 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.4302 Ave N Shift Values>> N :: 116.28(3.52) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.36 R 0.1 G 0.02 C Shift Assignments>> C :: 179.9542 CA :: 57.8822 CB :: 42.6902 CG :: 26.8522 CD1 :: 25.8572 CD2 :: 24.3232 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.6332 HA :: 4.1242 HB2 :: 1.9072 HB3 :: 1.3842 HG :: 1.7352 HD11 :: 0.8182 HD12 :: 0.8182 HD13 :: 0.8182 HD21 :: 0.8392 HD22 :: 0.8392 HD23 :: 0.8392 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.4872 Ave N Shift Values>> N :: 121.86(3.9) 1.I140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.6282 CA :: 65.8372 CB :: 36.7692 CG1 :: 25.9332 CG2 :: 17.6712 CD1 :: 15.7292 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.4632 HA :: 4.0222 HB :: 1.8812 HG12 :: 1.7082 HG13 :: 1.7082 HG21 :: 0.6712 HG22 :: 0.6712 HG23 :: 0.6712 HD11 :: 0.6082 HD12 :: 0.6082 HD13 :: 0.6082 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 113.7302 Ave N Shift Values>> N :: 121.46(4.28) 1.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.14 C 0.12 T 0.11 V 0.1 S 0.1 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> C :: 178.2362 CA :: 60.3582 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.3392 HA :: 3.8122 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.9942 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.23 R 0.09 E 0.04 I 0.02 M 0.01 HN Overlap>> 1.L181 1.L181 C Shift Assignments>> C :: 178.7592 CA :: 58.8022 CB :: 28.1192 CG :: 33.6992 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8332 HA :: 4.0352 HB2 :: 2.2262 HB3 :: 2.2262 HG2 :: 2.4342 HG3 :: 2.4342 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.3912 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.43 R 0.09 C Shift Assignments>> C :: 179.0322 CA :: 58.0302 CB :: 42.0652 CG :: 27.5632 CD1 :: 24.8012 CD2 :: 25.5162 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3682 HA :: 4.3472 HB2 :: 1.9622 HB3 :: 1.8412 HG :: 1.7562 HD11 :: 1.1642 HD12 :: 1.1642 HD13 :: 1.1642 HD21 :: 1.0302 HD22 :: 1.0302 HD23 :: 1.0302 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.1782 Ave N Shift Values>> N :: 121.86(3.9) 1.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.07 C 0.03 HN Overlap>> 1.W8 1.W8 C Shift Assignments>> C :: 179.5202 CA :: 55.8942 CB :: 18.1622 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1452 HA :: 3.9512 HB1 :: 1.5582 HB2 :: 1.5582 HB3 :: 1.5582 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.7542 Ave N Shift Values>> N :: 123.23(3.54) 1.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.39 G 0.06 K 0.04 HN Overlap>> 1.H137 1.H137 C Shift Assignments>> C :: 179.0552 CA :: 59.8832 CB :: 29.5462 CG :: 27.9202 CD :: 43.1742 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1372 HA :: 4.0102 HB2 :: 1.9202 HB3 :: 1.9202 HG2 :: 1.8372 HG3 :: 1.5922 HD2 :: 3.1862 HD3 :: 3.1862 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.1202 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 F 0.1 Y 0.1 C 0.09 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> C :: 178.4912 CA :: 57.8082 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.3792 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.3722 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.5 I 0.39 C 0.08 C Shift Assignments>> C :: 176.5512 CA :: 64.8452 CB :: 27.3642 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.5652 HA :: 4.1782 HB2 :: 3.4092 HB3 :: 2.5502 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.1842 Ave N Shift Values>> N :: 120.17(4.64) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 62.0002 CB :: 62.7692 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.1152 HA :: 3.9862 HB2 :: 4.0172 HB3 :: 4.0172 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.6972 Ave N Shift Values>> N :: 116.28(3.52) 1.E149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.13 K 0.04 M 0.03 Q 0.02 HN Overlap>> 1.Y77 1.Y77 C Shift Assignments>> C :: 179.4842 CA :: 59.3942 CB :: 30.0092 CG :: 36.3862 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.0432 HA :: 4.0232 HB2 :: 2.1422 HB3 :: 2.1422 HG2 :: 2.4042 HG3 :: 2.1952 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.3802 Ave N Shift Values>> N :: 120.67(3.48) 1.V150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.V172 1.E57 1.V172 1.E57 C Shift Assignments>> C :: 178.3042 CA :: 65.9672 CB :: 31.6012 CG1 :: 22.5052 CG2 :: 22.5052 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3132 HA :: 3.7232 HB :: 2.1842 HG11 :: 1.1112 HG12 :: 1.1112 HG13 :: 1.1112 HG21 :: 1.1112 HG22 :: 1.1112 HG23 :: 1.1112 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.3362 Ave N Shift Values>> N :: 121.14(4.54) 1.R151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.34 K 0.1 P 0.03 C Shift Assignments>> C :: 177.2552 CA :: 59.5862 CB :: 30.7942 CG :: 26.5342 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.1152 HA :: 3.7282 HB2 :: 2.1422 HB3 :: 1.7402 HG2 :: 1.5472 HG3 :: 1.5472 HD2 :: 3.0192 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.2122 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 R 0.04 G 0.01 C Shift Assignments>> C :: 178.2792 CA :: 56.7642 CB :: 42.3302 CG :: 26.7852 CD1 :: 25.0852 CD2 :: 23.5012 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.2822 HA :: 4.1892 HB2 :: 1.8852 HB3 :: 1.6402 HG :: 1.8802 HD11 :: 0.9512 HD12 :: 0.9512 HD13 :: 0.9512 HD21 :: 0.9192 HD22 :: 0.9192 HD23 :: 0.9192 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.3832 Ave N Shift Values>> N :: 121.86(3.9) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.24 A 0.06 R 0.03 G 0.01 C Shift Assignments>> C :: 177.9302 CA :: 55.0242 CB :: 42.2542 CG :: 26.4862 CD1 :: 25.3282 CD2 :: 22.4942 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.5482 HA :: 4.3392 HB2 :: 1.9612 HB3 :: 1.6822 HG :: 1.8352 HD11 :: 0.9382 HD12 :: 0.9382 HD13 :: 0.9382 HD21 :: 0.8622 HD22 :: 0.8622 HD23 :: 0.8622 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4332 Ave N Shift Values>> N :: 121.86(3.9) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.0932 CA :: 62.7532 CB :: 32.1422 CG1 :: 22.0572 CG2 :: 20.3912 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.3262 HA :: 4.0072 HB :: 2.2242 HG11 :: 0.9682 HG12 :: 0.9682 HG13 :: 0.9682 HG21 :: 0.9112 HG22 :: 0.9112 HG23 :: 0.9112 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.0092 Ave N Shift Values>> N :: 121.14(4.54) 1.D155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.21 K 0.18 R 0.1 F 0.08 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 176.1712 CA :: 55.0312 CB :: 42.0892 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.6532 HA :: 4.6392 HB2 :: 2.7302 HB3 :: 2.7302 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.8892 Ave N Shift Values>> N :: 120.65(3.86) 1.S156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6732 CA :: 57.6262 CB :: 64.5362 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7592 HA :: 4.5922 HB2 :: 3.9642 HB3 :: 3.8042 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.5092 Ave N Shift Values>> N :: 116.28(3.52) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.13 C Shift Assignments>> C :: 175.8372 CA :: 57.4902 CB :: 32.1002 CG :: 24.5872 CD :: 29.1102 CE :: 42.0132 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6422 HA :: 4.0652 HB2 :: 1.8062 HB3 :: 1.8062 HG2 :: 1.3952 HG3 :: 1.3952 HD2 :: 1.6192 HD3 :: 1.6192 HE2 :: 2.9702 HE3 :: 2.9702 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.0892 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.12 K 0.09 F 0.09 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.4682 CA :: 54.1102 CB :: 41.0982 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.9762 HA :: 4.6242 HB2 :: 2.8042 HB3 :: 2.5302 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.4312 Ave N Shift Values>> N :: 120.65(3.86) 1.D159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.3 D 0.1 G 0.08 F 0.05 C 0.05 K 0.03 Y 0.03 C Shift Assignments>> CA :: 55.1202 CB :: 43.6012 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.4582 HA :: 4.4522 HB2 :: 2.7812 HB3 :: 2.7812 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.2472 Ave N Shift Values>> N :: 120.65(3.86) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.12 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> CA :: 58.6282 CB :: 29.6952 CG :: 36.4722 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9012 HG2 :: 2.4172 HG3 :: 2.4172 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 126.0312 Ave N Shift Values>> N :: 120.67(3.48) 1.R161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 S 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.04 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 177.3342 CA :: 58.5402 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.3132 HA :: 4.1872 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.1132 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.33 C Shift Assignments>> CA :: 69.4972 CB :: 29.5012 CG1 :: 25.3762 CG2 :: 21.6302 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.7632 HA :: 3.3252 HB :: 2.3092 HG11 :: 1.0502 HG12 :: 1.0502 HG13 :: 1.0502 HG21 :: 0.7652 HG22 :: 0.7652 HG23 :: 0.7652 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.5952 Ave N Shift Values>> N :: 121.14(4.54) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.23 G 0.01 C Shift Assignments>> C :: 177.7042 CA :: 66.1712 CB :: 31.6692 CG :: 28.4132 CD :: 49.2102 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.5782 HB2 :: 2.2382 HB3 :: 1.8922 HG2 :: 2.0682 HG3 :: 1.7362 HD2 :: 3.5602 HD3 :: 3.5602 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 L 0.26 C 0.13 M 0.05 V 0.04 T 0.02 C Shift Assignments>> C :: 179.0462 CA :: 55.1222 CB :: 21.0152 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.6312 HA :: 3.9502 HB1 :: 1.5802 HB2 :: 1.5802 HB3 :: 1.5802 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.2522 Ave N Shift Values>> N :: 123.23(3.54) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.46 C Shift Assignments>> C :: 178.6762 CA :: 58.0272 CB :: 41.2562 CG :: 26.1092 CD1 :: 25.7082 CD2 :: 22.3252 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.8172 HA :: 3.7592 HB2 :: 1.7062 HB3 :: 1.0682 HG :: 1.4382 HD11 :: 0.6332 HD12 :: 0.6332 HD13 :: 0.6332 HD21 :: 0.5812 HD22 :: 0.5812 HD23 :: 0.5812 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.7412 Ave N Shift Values>> N :: 121.86(3.9) 1.N166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.18 N 0.16 F 0.14 E 0.13 M 0.04 D 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 178.8722 CA :: 55.7502 CB :: 37.6152 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.4592 HA :: 4.1822 HB2 :: 2.8092 HB3 :: 2.8092 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.0852 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.24 A 0.15 C Shift Assignments>> C :: 176.0742 CA :: 54.4222 CB :: 41.0842 CD1 :: 25.8212 CD2 :: 22.2232 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4982 HA :: 4.1632 HD11 :: 0.7622 HD12 :: 0.7622 HD13 :: 0.7622 HD21 :: 0.9902 HD22 :: 0.9902 HD23 :: 0.9902 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.5472 Ave N Shift Values>> N :: 121.86(3.9) 1.L168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.33 R 0.13 G 0.01 C Shift Assignments>> C :: 178.9472 CA :: 58.9942 CB :: 42.0382 CG :: 27.1322 CD1 :: 26.9672 CD2 :: 23.2352 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2952 HA :: 3.9132 HB2 :: 2.3202 HB3 :: 1.2722 HG :: 1.1452 HD11 :: 0.8462 HD12 :: 0.8462 HD13 :: 0.8462 HD21 :: 0.8592 HD22 :: 0.8592 HD23 :: 0.8592 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.9242 Ave N Shift Values>> N :: 121.86(3.9) 1.I169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.4962 CA :: 66.9812 CB :: 39.1302 CG1 :: 30.7262 CG2 :: 17.1952 CD1 :: 13.0342 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.1372 HA :: 3.4292 HB :: 1.7512 HG12 :: 1.8982 HG13 :: 0.9672 HG21 :: 0.9492 HG22 :: 0.9492 HG23 :: 0.9492 HD11 :: 0.7452 HD12 :: 0.7452 HD13 :: 0.7452 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.7762 Ave N Shift Values>> N :: 121.46(4.28) 1.C170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.23 P 0.19 K 0.04 R 0.04 W 0.02 L 0.01 HN Overlap>> 1.F16 1.F16 C Shift Assignments>> C :: 176.1242 CA :: 61.5712 CB :: 25.9552 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.1422 HA :: 4.3952 HB2 :: 3.4282 HB3 :: 3.1932 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.2782 Ave N Shift Values>> N :: 120.17(4.64) 1.L171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 L 0.11 A 0.04 C Shift Assignments>> C :: 180.2742 CA :: 58.4272 CB :: 40.7852 CG :: 25.1422 CD1 :: 24.2232 CD2 :: 19.9602 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.8362 HA :: 3.9632 HB2 :: 1.7952 HB3 :: 0.8432 HG :: 1.9662 HD11 :: 0.0272 HD12 :: 0.0272 HD13 :: 0.0272 HD21 :: 0.2292 HD22 :: 0.2292 HD23 :: 0.2292 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.5062 Ave N Shift Values>> N :: 121.86(3.9) 1.V172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.E57 1.V150 1.E57 1.V150 C Shift Assignments>> CA :: 68.2052 CB :: 32.2562 CG1 :: 20.6462 CG2 :: 22.5882 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.3072 HA :: 3.8132 HB :: 2.1332 HG11 :: 0.8272 HG12 :: 0.8272 HG13 :: 0.8272 HG21 :: 1.1492 HG22 :: 1.1492 HG23 :: 1.1492 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.3512 Ave N Shift Values>> N :: 121.14(4.54) 1.S173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.5892 CA :: 60.6182 CB :: 63.7782 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5262 HA :: 4.0512 HB2 :: 3.6272 HB3 :: 3.6272 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.3602 Ave N Shift Values>> N :: 116.28(3.52) 1.R174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.36 K 0.16 G 0.03 C Shift Assignments>> C :: 177.6812 CA :: 56.4552 CB :: 31.0502 CG :: 27.8812 CD :: 43.0822 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.7332 HA :: 4.5802 HB2 :: 1.9812 HB3 :: 1.9812 HG2 :: 1.8672 HG3 :: 1.8672 HD2 :: 3.1252 HD3 :: 3.1252 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.8672 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 HN Overlap>> 1.Q21 1.Q21 C Shift Assignments>> C :: 175.9922 CA :: 61.9272 CB :: 39.0072 CD1 :: 133.1232 CD2 :: 133.1232 CE1 :: 118.0372 CE2 :: 118.0372 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.8232 HA :: 4.2972 HB2 :: 2.7632 HB3 :: 2.7632 HD1 :: 6.1582 HD2 :: 6.1582 HE1 :: 6.4032 HE2 :: 6.4032 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.1132 Ave N Shift Values>> N :: 120.52(4.2) 1.F176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.32 C 0.25 C Shift Assignments>> C :: 175.6422 CA :: 59.2032 CB :: 38.3722 CD1 :: 132.4402 CD2 :: 132.4402 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.8512 HA :: 4.4732 HB2 :: 3.6082 HB3 :: 3.4322 HD1 :: 7.4142 HD2 :: 7.4142 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 113.2532 Ave N Shift Values>> N :: 120.45(4.18) 1.D177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.23 D 0.15 C 0.13 L 0.09 N 0.09 I 0.04 C Shift Assignments>> C :: 175.4212 CA :: 56.3292 CB :: 39.4892 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 6.9852 HA :: 4.3462 HB2 :: 3.0382 HB3 :: 2.6392 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 112.6152 Ave N Shift Values>> N :: 120.65(3.86) 1.Q178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 P 0.21 C 0.14 R 0.13 K 0.06 Q 0.04 H 0.03 W 0.02 HN Overlap>> 1.S99 1.S99 C Shift Assignments>> C :: 176.5802 CA :: 52.0562 CB :: 26.2242 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.8972 HA :: 4.7562 HB2 :: 1.8622 HB3 :: 1.8622 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.6042 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.43 K 0.06 G 0.03 C Shift Assignments>> C :: 177.2942 CA :: 59.1502 CB :: 30.2492 CG :: 27.4102 CD :: 42.9992 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.8002 HA :: 3.8772 HB2 :: 1.8672 HB3 :: 1.8672 HG2 :: 1.6802 HG3 :: 1.6802 HD2 :: 3.2152 HD3 :: 3.2152 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.7692 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.16 D 0.15 F 0.15 C 0.13 L 0.05 I 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 176.2872 CA :: 55.0132 CB :: 38.7432 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.1192 HA :: 4.3942 HB2 :: 2.7182 HB3 :: 2.7182 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.5312 Ave N Shift Values>> N :: 120.65(3.86) 1.L181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.28 A 0.19 HN Overlap>> 1.Q142 1.Q142 C Shift Assignments>> C :: 175.7752 CA :: 53.9862 CB :: 41.1892 CG :: 26.8082 CD1 :: 22.2572 CD2 :: 22.3942 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7482 HA :: 4.4222 HB2 :: 1.6302 HB3 :: 1.6302 HG :: 1.5472 HD11 :: 0.7662 HD12 :: 0.7662 HD13 :: 0.7662 HD21 :: 0.7372 HD22 :: 0.7372 HD23 :: 0.7372 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.4492 Ave N Shift Values>> N :: 121.86(3.9) 1.A182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 178.1512 CA :: 52.1932 CB :: 19.7892 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.1832 HA :: 4.1932 HB1 :: 1.2942 HB2 :: 1.2942 HB3 :: 1.2942 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.1382 Ave N Shift Values>> N :: 123.23(3.54) 1.D183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.1 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.8322 CA :: 54.4972 CB :: 41.1282 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9062 HA :: 4.6752 HB2 :: 2.5662 HB3 :: 2.5662 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.4812 Ave N Shift Values>> N :: 120.65(3.86) 1.E184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.25 M 0.18 Q 0.17 K 0.09 C Shift Assignments>> C :: 174.4682 CA :: 53.4122 CB :: 30.2652 CG :: 35.4312 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5482 HA :: 4.7242 HB2 :: 2.0252 HB3 :: 1.8782 HG2 :: 2.2542 HG3 :: 2.2032 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.4112 Ave N Shift Values>> N :: 120.67(3.48) 1.P185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.7742 CA :: 63.2222 CB :: 32.2372 CG :: 27.3532 CD :: 50.6162 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.4012 HB2 :: 2.2692 HB3 :: 1.9582 HG2 :: 1.9932 HG3 :: 1.2972 HD2 :: 3.7632 HD3 :: 3.7052 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S6 2.S6 C Shift Assignments>> C :: 174.3672 CA :: 58.3112 CB :: 63.7312 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2812 HA :: 4.4002 HB2 :: 3.8492 HB3 :: 3.8492 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.7672 Ave N Shift Values>> N :: 116.28(3.52) 1.L187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.03 G 0.02 A 0.02 C Shift Assignments>> C :: 176.9132 CA :: 55.0222 CB :: 42.4992 CG :: 27.0192 CD1 :: 24.7422 CD2 :: 23.4912 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2412 HA :: 4.3762 HB2 :: 1.5662 HB3 :: 1.5662 HG :: 1.6072 HD11 :: 0.9162 HD12 :: 0.9162 HD13 :: 0.9162 HD21 :: 0.8592 HD22 :: 0.8592 HD23 :: 0.8592 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.9482 Ave N Shift Values>> N :: 121.86(3.9) 1.E188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 M 0.14 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 174.9142 CA :: 56.3692 CB :: 30.6572 CG :: 36.2672 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2302 HA :: 4.2472 HB2 :: 1.9752 HB3 :: 1.8162 HG2 :: 2.1472 HG3 :: 2.1472 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.5522 Ave N Shift Values>> N :: 120.67(3.48) 1.Y189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 180.2402 CA :: 58.9982 CB :: 39.4582 CD1 :: 133.5212 CD2 :: 133.5212 CE1 :: 118.1702 CE2 :: 118.1702 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6392 HA :: 4.3662 HB2 :: 3.0292 HB3 :: 2.8852 HD1 :: 7.0672 HD2 :: 7.0672 HE1 :: 6.7792 HE2 :: 6.7792 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 125.7052 Ave N Shift Values>> N :: 120.52(4.2) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.26 C 0.25 M 0.07 E 0.07 R 0.02 C Shift Assignments>> C :: 176.3182 CA :: 56.4212 CB :: 29.5252 CG :: 33.7362 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.3762 HB2 :: 2.0682 HB3 :: 2.0682 HG2 :: 2.3852 HG3 :: 2.3852 HE21 :: 7.6222 HE22 :: 6.8642 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> NE2 :: 112.6672 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2782 CA :: 58.4752 CB :: 63.6532 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.5672 HA :: 4.4652 HB2 :: 3.8702 HB3 :: 3.8702 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.7872 Ave N Shift Values>> N :: 116.28(3.52) 2.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 F 0.1 N 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 2.D7 2.D7 C Shift Assignments>> C :: 176.0802 CA :: 54.4522 CB :: 41.1052 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.3132 HA :: 4.6162 HB2 :: 2.6982 HB3 :: 2.6982 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0502 Ave N Shift Values>> N :: 120.65(3.86) 2.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 F 0.1 N 0.1 K 0.09 Y 0.08 C 0.06 HN Overlap>> 1.E71 1.E71 C Shift Assignments>> C :: 176.5802 CA :: 54.5642 CB :: 40.9832 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2792 HA :: 4.6082 HB2 :: 2.6942 HB3 :: 2.6942 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.9312 Ave N Shift Values>> N :: 120.65(3.86) 2.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S186 1.S186 C Shift Assignments>> C :: 174.4182 CA :: 59.1542 CB :: 63.7802 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.2442 HA :: 4.3162 HB2 :: 3.8392 HB3 :: 3.8392 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.7282 Ave N Shift Values>> N :: 116.28(3.52) 2.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.1 K 0.09 Y 0.07 C 0.05 HN Overlap>> 2.D4 2.D4 C Shift Assignments>> C :: 175.8962 CA :: 54.3932 CB :: 41.0082 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.2802 HA :: 4.5752 HB2 :: 2.5582 HB3 :: 2.5582 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.0392 Ave N Shift Values>> N :: 120.65(3.86) 2.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.7422 CA :: 61.2072 CB :: 38.5862 CG1 :: 27.0312 CG2 :: 17.1432 CD1 :: 12.8622 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.7332 HA :: 3.9562 HB :: 1.6242 HG12 :: 1.1512 HG13 :: 0.9382 HG21 :: 0.6232 HG22 :: 0.6232 HG23 :: 0.6232 HD11 :: 0.6782 HD12 :: 0.6782 HD13 :: 0.6782 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.8342 Ave N Shift Values>> N :: 121.46(4.28) 2.W9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> CA :: 56.3412 CB :: 29.1072 CD1 :: 126.9502 CE3 :: 121.0332 CZ2 :: 114.3972 CZ3 :: 121.1832 CH2 :: 124.5102 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.2762 HA :: 4.6562 HB2 :: 3.1802 HB3 :: 2.9762 HD1 :: 7.0362 HE1 :: 9.8822 HE3 :: 7.2512 HZ2 :: 7.1742 HZ3 :: 6.6452 HH2 :: 6.9712 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.5562 NE1 :: 128.8832 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.6222 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.0062 HA :: 4.3942 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.4902 Ave N Shift Values>> N :: 120.65(3.86) 2.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.22 K 0.21 D 0.17 F 0.13 Y 0.09 C 0.06 R 0.05 N 0.02 C Shift Assignments>> C :: 178.8332 CA :: 56.0282 CB :: 41.6252 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> HB2 :: 2.7772 HB3 :: 2.7772 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 2.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.16 C Shift Assignments>> C :: 175.1652 CA :: 61.0172 CB :: 68.7452 CG2 :: 22.2062 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.1502 HA :: 4.2582 HB :: 4.5552 HG21 :: 1.0952 HG22 :: 1.0952 HG23 :: 1.0952 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 105.6422 Ave N Shift Values>> N :: 115.42(4.75) 2.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.28 I 0.08 C 0.08 V 0.04 L 0.01 C Shift Assignments>> C :: 180.1702 CA :: 56.4082 CB :: 19.1602 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.4592 HA :: 3.7022 HB1 :: 0.9572 HB2 :: 0.9572 HB3 :: 0.9572 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7182 Ave N Shift Values>> N :: 123.23(3.54) 2.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.4 R 0.01 C Shift Assignments>> C :: 178.8352 CA :: 57.7352 CB :: 41.3182 CG :: 26.2562 CD1 :: 25.9042 CD2 :: 23.4942 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7672 HA :: 4.2102 HB2 :: 1.8162 HB3 :: 1.3442 HG :: 1.5232 HD11 :: 0.7652 HD12 :: 0.7652 HD13 :: 0.7652 HD21 :: 0.7492 HD22 :: 0.7492 HD23 :: 0.7492 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.8382 Ave N Shift Values>> N :: 121.86(3.9) 2.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 177.2072 CA :: 65.7822 CB :: 38.7682 CG1 :: 29.8282 CG2 :: 18.2612 CD1 :: 15.8972 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.9472 HA :: 3.4062 HB :: 1.9022 HG12 :: 1.2972 HG13 :: 0.7632 HG21 :: 0.8052 HG22 :: 0.8052 HG23 :: 0.8052 HD11 :: 0.6682 HD12 :: 0.6682 HD13 :: 0.6682 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.8492 Ave N Shift Values>> N :: 121.46(4.28) 2.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.4 R 0.13 C Shift Assignments>> C :: 179.5032 CA :: 59.1542 CB :: 32.7692 CG :: 25.8412 CD :: 29.4142 CE :: 41.8922 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.8332 HA :: 4.0302 HB2 :: 1.6982 HB3 :: 1.6982 HG2 :: 1.4342 HG3 :: 1.4342 HD2 :: 1.5652 HD3 :: 1.5652 HE2 :: 2.9122 HE3 :: 2.9122 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.2512 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 I 0.04 C 0.03 C Shift Assignments>> C :: 180.1362 CA :: 55.3872 CB :: 18.5062 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.9652 HA :: 4.0452 HB1 :: 1.7262 HB2 :: 1.7262 HB3 :: 1.7262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.9532 Ave N Shift Values>> N :: 123.23(3.54) 2.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 176.0512 CA :: 61.6942 CB :: 37.4292 CD1 :: 129.3572 CD2 :: 129.3572 CE1 :: 118.2222 CE2 :: 118.2222 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.6602 HA :: 3.1322 HB2 :: 2.8382 HB3 :: 2.2602 HD1 :: 6.9172 HD2 :: 6.9172 HE1 :: 6.5322 HE2 :: 6.5322 HH :: 9.4152 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.9492 Ave N Shift Values>> N :: 120.52(4.2) 2.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.28 C 0.14 D 0.09 L 0.07 I 0.07 N 0.03 C Shift Assignments>> C :: 179.7612 CA :: 57.3412 CB :: 39.6102 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.4362 HA :: 4.1292 HB2 :: 2.7062 HB3 :: 2.5442 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.0592 Ave N Shift Values>> N :: 120.65(3.86) 2.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 HN Overlap>> 1.V100 1.V100 C Shift Assignments>> C :: 178.7742 CA :: 59.0192 CB :: 32.7652 CG :: 25.0872 CD :: 29.4792 CE :: 42.0312 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2082 HA :: 4.0172 HB2 :: 1.8762 HB3 :: 1.8762 HG2 :: 1.4232 HG3 :: 1.4232 HD2 :: 1.6462 HD3 :: 1.6462 HE2 :: 2.9382 HE3 :: 2.9382 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9972 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.32 C 0.06 I 0.02 L 0.02 V 0.02 C Shift Assignments>> C :: 181.1622 CA :: 55.4272 CB :: 19.4412 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.8482 HA :: 4.1612 HB1 :: 1.4392 HB2 :: 1.4392 HB3 :: 1.4392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.9042 Ave N Shift Values>> N :: 123.23(3.54) 2.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.5272 CA :: 65.3162 CB :: 31.6872 CG1 :: 21.3262 CG2 :: 20.8682 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.1392 HA :: 3.7202 HB :: 2.0192 HG11 :: 0.6442 HG12 :: 0.6442 HG13 :: 0.6442 HG21 :: 0.5922 HG22 :: 0.5922 HG23 :: 0.5922 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.4472 Ave N Shift Values>> N :: 121.14(4.54) 2.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.01 C Shift Assignments>> C :: 178.3502 CA :: 53.4062 CB :: 18.7752 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5392 HA :: 4.3132 HB1 :: 1.4802 HB2 :: 1.4802 HB3 :: 1.4802 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.3842 Ave N Shift Values>> N :: 123.23(3.54) 2.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 174.2942 CA :: 59.5382 CB :: 64.0162 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.7712 HA :: 4.4122 HB2 :: 4.1122 HB3 :: 4.0072 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.8012 Ave N Shift Values>> N :: 116.28(3.52) 2.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.47 HN Overlap>> 1.E102 1.E102 C Shift Assignments>> C :: 173.8712 CA :: 59.0542 CB :: 39.6632 CD1 :: 131.6612 CD2 :: 131.6612 CE1 :: 131.2702 CE2 :: 131.2702 CZ :: 132.3432 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.7872 HA :: 4.0472 HB2 :: 2.9072 HB3 :: 3.0252 HD1 :: 6.6312 HD2 :: 6.6312 HE1 :: 6.9842 HE2 :: 6.9842 HZ :: 6.6392 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.7832 Ave N Shift Values>> N :: 120.45(4.18) 2.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 R 0.06 C Shift Assignments>> C :: 180.4482 CA :: 57.6472 CB :: 34.0762 CG :: 24.5472 CD :: 29.1962 CE :: 42.0912 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.1822 HA :: 3.9482 HB2 :: 1.7432 HB3 :: 1.6392 HG2 :: 1.3382 HG3 :: 1.3382 HD2 :: 1.6532 HD3 :: 1.6532 HE2 :: 2.9742 HE3 :: 2.9742 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 127.7332 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 204 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 214 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 212 #Suspicious: 3 C Shift Results: #Consistent: 908 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1401 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 0 N Shift Results: #Consistent: 205 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Q12 HG2 = 1.2742(S), Expected = 2.32, Std = 0.2700, ChiSquare = 1.0736e-04 1.Q12 HG3 = 0.6082(S), Expected = 2.29, Std = 0.2900, ChiSquare = 6.6588e-09 1.R20 HG3 = 0.4392(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.4713e-04 1.P42 HB3 = 0.4422(S), Expected = 2.00, Std = 0.3600, ChiSquare = 1.5100e-05 1.P42 HG2 = 0.8782(S), Expected = 1.93, Std = 0.3100, ChiSquare = 6.9156e-04 1.P42 HG3 = -0.1008(S), Expected = 1.90, Std = 0.3300, ChiSquare = 1.3358e-09 1.P42 HD2 = 2.3482(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.9967e-04 1.P42 HD3 = 0.3352(S), Expected = 3.61, Std = 0.3900, ChiSquare = 4.5833e-17 1.P42 SRO Rule Break>> HD3 > HG2 : 0.992802519118309 1.E47 HA = 2.3172(S), Expected = 4.25, Std = 0.4100, ChiSquare = 2.4273e-06 1.L55 HD11 = -0.6808(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2216e-07 1.L55 HD12 = -0.6808(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2216e-07 1.L55 HD13 = -0.6808(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2216e-07 1.P84 CG = 30.9472(S), Expected = 27.17, Std = 1.0900, ChiSquare = 5.2960e-04 1.P84 HD3 = 2.1292(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.4650e-04 1.P84 SRO Rule Break>> HD3 > HG2 : 0.992802519118309 1.V100 HG21 = -0.7728(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9414e-08 1.V100 HG22 = -0.7728(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9414e-08 1.V100 HG23 = -0.7728(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.9414e-08 1.W107 NE1 = 120.1722(S), Expected = 129.32, Std = 2.1100, ChiSquare = 1.4546e-05 1.R111 HB3 = 0.5812(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.5537e-05 1.R111 HG3 = 0.2992(S), Expected = 1.54, Std = 0.2900, ChiSquare = 1.8806e-05 1.R111 HD3 = 2.0112(S), Expected = 3.10, Std = 0.2600, ChiSquare = 2.8181e-05 1.T114 H = 5.7602(S), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3429e-05 1.R119 SRO Rule Break>> HA > HD2 : 0.991153846153846