Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 173.737 CA :: 58.777 CB :: 63.817 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.65873 HA :: 4.40673 HB2 :: 3.83773 HB3 :: 3.83773 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 :: 111.273 Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.3 E 0.26 Q 0.02 C Shift Assignments>> C :: 174.097 CA :: 55.207 CB :: 32.267 CG :: 36.265 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 :: 8.71573 HA :: 4.49673 HB2 :: 1.74473 HG2 :: 2.27573 HG3 :: 2.22073 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 :: 125.273 Ave N Shift Values>> N :: 120.67(3.48) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.25 L 0.17 C 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 174.177 CA :: 51.737 CB :: 41.127 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 :: 8.24773 HA :: 5.53673 HB2 :: 2.58173 HB3 :: 2.38173 HD21 :: 7.66273 HD22 :: 6.34473 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 :: 117.573 ND2 :: 113.027 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 174.197 CA :: 61.037 CB :: 40.397 CG1 :: 28.687 CG2 :: 18.717 CD1 :: 14.563 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 :: 8.79473 HA :: 4.11773 HB :: 1.59973 HG12 :: 1.38073 HG13 :: 1.12073 HG21 :: 0.73373 HG22 :: 0.73373 HG23 :: 0.73373 HD11 :: 0.79973 HD12 :: 0.79973 HD13 :: 0.79973 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 :: 128.423 Ave N Shift Values>> N :: 121.46(4.28) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.3 M 0.17 I 0.01 C Shift Assignments>> C :: 175.027 CA :: 55.947 CB :: 31.627 CG :: 37.423 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 :: 8.30573 HA :: 4.67473 HB2 :: 1.88773 HB3 :: 1.70673 HG2 :: 2.18473 HG3 :: 1.89173 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 :: 126.503 Ave N Shift Values>> N :: 120.67(3.48) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 174.507 CA :: 60.917 CB :: 34.607 CG1 :: 22.361 CG2 :: 21.584 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.08173 HA :: 4.32073 HB :: 1.35973 HG11 :: 1.07173 HG12 :: 1.07173 HG13 :: 1.07173 HG21 :: 0.31173 HG22 :: 0.31173 HG23 :: 0.31173 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 :: 125.883 Ave N Shift Values>> N :: 121.14(4.54) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.45 C Shift Assignments>> C :: 174.497 CA :: 53.317 CB :: 32.047 CE1 :: 135.397 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 :: 8.96573 HA :: 5.65373 HB2 :: 3.24873 HB3 :: 2.92973 HD2 :: 6.78873 HE1 :: 8.31273 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 :: 124.193 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.25 E 0.08 Q 0.03 C Shift Assignments>> C :: 174.117 CA :: 57.067 CB :: 35.017 CG :: 33.824 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 :: 8.32673 HA :: 4.40173 HB2 :: 1.87573 HB3 :: 1.32173 HG2 :: 2.03773 HG3 :: 2.03773 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 :: 120.643 Ave N Shift Values>> N :: 120.09(3.57) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 C 0.31 L 0.28 A 0.03 C Shift Assignments>> C :: 175.567 CA :: 53.257 CB :: 46.957 CG :: 26.685 CD1 :: 24.141 CD2 :: 24.472 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 :: 8.11973 HA :: 4.77973 HB2 :: 1.39873 HG :: 0.85173 HD11 :: 1.29373 HD12 :: 1.29373 HD13 :: 1.29373 HD21 :: 0.89973 HD22 :: 0.89973 HD23 :: 0.89973 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 :: 121.333 Ave N Shift Values>> N :: 121.86(3.9) 1.N11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.29 C 0.21 E 0.16 Y 0.09 M 0.09 F 0.06 D 0.02 K 0.02 C Shift Assignments>> C :: 178.477 CA :: 54.277 CB :: 36.867 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 :: 10.42873(S) HA :: 4.92673 HB2 :: 2.76473 HB3 :: 2.76473 HD21 :: 7.46773 HD22 :: 7.41073 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 :: 119.193 ND2 :: 110.401 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.09 C Shift Assignments>> C :: 173.877 CA :: 56.187 CB :: 34.767 CG :: 24.574 CD :: 29.976 CE :: 42.103 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 :: 8.11073 HA :: 4.72673 HB2 :: 1.76873 HB3 :: 1.66173 HG2 :: 1.29273 HG3 :: 1.04773 HD2 :: 1.49073 HE2 :: 2.88673 HE3 :: 2.88673 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.083 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.28 R 0.23 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.307 CA :: 44.137 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.47473 HA2 :: 3.81773 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.603 Ave N Shift Values>> N :: 109.67(3.87) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.38 I 0.04 C 0.03 C Shift Assignments>> C :: 180.437 CA :: 55.507 CB :: 18.517 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.05473 HA :: 4.05673 HB1 :: 1.47373 HB2 :: 1.47373 HB3 :: 1.47373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.713 Ave N Shift Values>> N :: 123.23(3.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.17 R 0.15 E 0.15 K 0.13 C 0.13 M 0.06 I 0.01 C Shift Assignments>> C :: 175.917 CA :: 56.007 CB :: 29.677 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 :: 9.04073 HA :: 4.37273 HB2 :: 2.25673 HB3 :: 1.78473 HG2 :: 2.32873 HG3 :: 2.32873 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 :: 112.483 Ave N Shift Values>> N :: 120.67(3.48) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.25 R 0.14 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.967 CA :: 44.417 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.44773 HA2 :: 4.32173 HA3 :: 3.66373 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.283 Ave N Shift Values>> N :: 109.67(3.87) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 178.207 CA :: 51.267 CB :: 20.527 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.14873 HA :: 4.82973 HB1 :: 1.38473 HB2 :: 1.38473 HB3 :: 1.38473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.443 Ave N Shift Values>> N :: 123.23(3.54) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.3 K 0.15 R 0.14 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 172.727 CA :: 56.307 CB :: 27.20673 CG :: 33.977 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 :: 8.32473 HA :: 4.06073 HB2 :: 2.53973 HB3 :: 1.87773 HG2 :: 2.32373 HG3 :: 2.32373 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 :: 117.183 Ave N Shift Values>> N :: 120.09(3.57) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.06 A 0.03 C Shift Assignments>> C :: 175.747 CA :: 58.317 CB :: 35.177 CG1 :: 18.579 CG2 :: 21.685 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 :: 7.89673 HA :: 4.97473 HB :: 2.02073 HG11 :: 0.62173 HG12 :: 0.62173 HG13 :: 0.62173 HG21 :: 0.52673 HG22 :: 0.52673 HG23 :: 0.52673 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 :: 109.883 Ave N Shift Values>> N :: 121.14(4.54) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 K 0.15 L 0.15 D 0.11 C 0.09 I 0.03 R 0.01 N 0.01 C Shift Assignments>> C :: 175.917 CA :: 57.347 CB :: 41.037 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 :: 8.32673 HA :: 4.93973 HB2 :: 2.70473 HB3 :: 2.70473 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 :: 119.483 Ave N Shift Values>> N :: 120.45(4.18) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 M 0.09 E 0.03 C Shift Assignments>> C :: 174.417 CA :: 53.157 CB :: 34.317 CG :: 37.206 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 :: 9.05073 HA :: 4.77673 HB2 :: 2.02873 HB3 :: 1.80673 HG2 :: 2.16673 HG3 :: 2.16673 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 :: 120.093 Ave N Shift Values>> N :: 120.67(3.48) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.89 P 0.09 A 0.01 C Shift Assignments>> C :: 173.237 CA :: 63.757 CB :: 34.777 CG :: 24.743 CD :: 50.417 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 :: 4.84273 HB2 :: 2.53773 HB3 :: 2.15673 HG2 :: 1.97673 HG3 :: 1.76973 HD2 :: 3.90873 HD3 :: 3.56473 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.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.02 M 0.02 L 0.02 C Shift Assignments>> C :: 175.427 CA :: 51.937 CB :: 20.327 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.93373 HA :: 4.49673 HB1 :: 1.74273 HB2 :: 1.74273 HB3 :: 1.74273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.513 Ave N Shift Values>> N :: 123.23(3.54) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 174.547 CA :: 56.307 CB :: 39.587 CD1 :: 131.707 CD2 :: 131.707 CE1 :: 115.837 CE2 :: 115.837 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 :: 7.34073 HA :: 5.20973 HB2 :: 3.01673 HB3 :: 2.73573 HD1 :: 6.91173 HD2 :: 6.91173 HE1 :: 6.60173 HE2 :: 6.60173 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 :: 117.333 Ave N Shift Values>> N :: 120.52(4.2) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.22 C Shift Assignments>> C :: 172.887 CA :: 60.637 CB :: 40.457 CG1 :: 28.947 CG2 :: 20.026 CD1 :: 16.066 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 :: 8.75773 HA :: 3.94573 HB :: 1.55673 HG12 :: 1.06973 HG13 :: 0.65773 HG21 :: 0.56573 HG22 :: 0.56573 HG23 :: 0.56573 HD11 :: 0.54873 HD12 :: 0.54873 HD13 :: 0.54873 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 :: 128.993 Ave N Shift Values>> N :: 121.46(4.28) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.36 R 0.1 G 0.01 C Shift Assignments>> C :: 174.597 CA :: 55.157 CB :: 33.147 CG :: 25.014 CE :: 42.47 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 :: 8.04773 HA :: 4.85673 HB2 :: 1.81773 HB3 :: 1.61373 HG2 :: 1.39073 HG3 :: 1.39073 HE2 :: 3.00273 HE3 :: 3.00273 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 :: 127.033 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.36 C 0.19 K 0.02 P 0.01 C Shift Assignments>> C :: 174.827 CA :: 50.077 CB :: 23.067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.49373 HA :: 4.68973 HB1 :: 1.04273 HB2 :: 1.04273 HB3 :: 1.04273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.323 Ave N Shift Values>> N :: 123.23(3.54) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.21 C 0.07 L 0.05 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.387 CA :: 50.837 CB :: 39.537 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 :: 9.31573 HA :: 5.11573 HB2 :: 2.53973 HB3 :: 2.53973 HD21 :: 8.29773 HD22 :: 6.99573 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 :: 119.433 ND2 :: 110.292 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.23 C Shift Assignments>> C :: 177.547 CA :: 64.197 CB :: 31.567 CG :: 26.481 CD :: 49.066 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 :: 4.10573 HB2 :: 2.32273 HB3 :: 2.04773 HG2 :: 1.98173 HG3 :: 1.98173 HD2 :: 3.40373 HD3 :: 3.33073 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.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.397 CA :: 44.847 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.40073 HA2 :: 4.38173 HA3 :: 3.40373 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.753 Ave N Shift Values>> N :: 109.67(3.87) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.2 K 0.2 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 174.687 CA :: 55.297 CB :: 41.977 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 :: 7.97573 HA :: 4.92873 HB2 :: 2.75773 HB3 :: 2.68873 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 :: 122.163 Ave N Shift Values>> N :: 120.65(3.86) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 C 0.29 C Shift Assignments>> C :: 173.407 CA :: 59.017 CB :: 71.597 CG2 :: 21.324 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 :: 8.49973 HA :: 5.25973 HB :: 3.79773 HG21 :: 0.95073 HG22 :: 0.95073 HG23 :: 0.95073 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 :: 106.263 Ave N Shift Values>> N :: 115.42(4.75) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 175.127 CA :: 60.317 CB :: 33.497 CG1 :: 20.27 CG2 :: 23.179 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.09373 HA :: 4.55073 HB :: 1.68273 HG11 :: 0.49273 HG12 :: 0.49273 HG13 :: 0.49273 HG21 :: 0.05973 HG22 :: 0.05973 HG23 :: 0.05973 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 :: 122.433 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 172.637 CA :: 61.977 CB :: 69.857 CG2 :: 20.825 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 :: 8.88073 HA :: 4.88073 HB :: 3.85773 HG21 :: 1.07173 HG22 :: 1.07173 HG23 :: 1.07173 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 :: 123.163 Ave N Shift Values>> N :: 115.42(4.75) 1.F35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.34 C 0.2 C Shift Assignments>> C :: 175.107 CA :: 57.317 CB :: 40.157 CD1 :: 131.037 CD2 :: 131.037 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 :: 9.63973 HA :: 4.94973 HB2 :: 3.17973 HB3 :: 3.12773 HD1 :: 7.33373 HD2 :: 7.33373 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 :: 126.343 Ave N Shift Values>> N :: 120.45(4.18) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.41 A 0.01 C Shift Assignments>> C :: 175.017 CA :: 57.867 CB :: 41.237 CG1 :: 27.114 CG2 :: 16.355 CD1 :: 13.24 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.13973 HA :: 4.76073 HB :: 1.80173 HG12 :: 1.50573 HG13 :: 0.99973 HG21 :: 0.74973 HG22 :: 0.74973 HG23 :: 0.74973 HD11 :: 0.73673 HD12 :: 0.73673 HD13 :: 0.73673 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.033 Ave N Shift Values>> N :: 121.46(4.28) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.37 C Shift Assignments>> C :: 174.747 CA :: 61.907 CB :: 29.677 CG :: 27.238 CD :: 51.125 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 :: 4.94273 HB2 :: 2.38173 HB3 :: 2.05173 HG2 :: 2.04373 HG3 :: 1.84673 HD2 :: 3.75973 HD3 :: 3.75973 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.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.227 CA :: 65.787 CB :: 32.257 CG1 :: 20.714 CG2 :: 22.457 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 :: 8.24573 HA :: 3.63673 HB :: 1.91673 HG11 :: 0.83773 HG12 :: 0.83773 HG13 :: 0.83773 HG21 :: 0.73773 HG22 :: 0.73773 HG23 :: 0.73773 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 :: 114.073 Ave N Shift Values>> N :: 121.14(4.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.29 R 0.14 D 0.1 C 0.04 F 0.01 Y 0.01 C Shift Assignments>> C :: 174.817 CA :: 52.707 CB :: 44.047 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 :: 7.11773 HA :: 5.06473 HB2 :: 2.84173 HB3 :: 2.22373 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 :: 115.223 Ave N Shift Values>> N :: 120.65(3.86) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.19 Q 0.17 C 0.17 R 0.09 H 0.08 E 0.03 V 0.01 C Shift Assignments>> C :: 177.937 CA :: 55.857 CB :: 33.057 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 :: 8.02873 HA :: 4.33673 HB2 :: 1.86973 HB3 :: 1.70573 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 :: 116.313 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.367 CA :: 44.717 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.80373 HA2 :: 3.93373 HA3 :: 3.32573 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.093 Ave N Shift Values>> N :: 109.67(3.87) 1.H42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.21 E 0.2 M 0.13 Y 0.07 F 0.04 K 0.03 Q 0.01 D 0.01 C Shift Assignments>> C :: 174.797 CA :: 54.367 CB :: 36.437 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 :: 7.07373 HA :: 5.95673 HB2 :: 3.35173 HB3 :: 2.52773 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 :: 115.723 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.3 L 0.14 C 0.05 F 0.05 Y 0.03 K 0.02 C Shift Assignments>> C :: 170.077 CA :: 52.147 CB :: 40.707 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 :: 9.46773 HA :: 4.82473 HB2 :: 2.87273 HB3 :: 2.20073 HD21 :: 7.14973 HD22 :: 6.80873 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 :: 124.943 ND2 :: 106.873 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 V 0.15 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 173.237 CA :: 59.887 CB :: 34.447 CG1 :: 18.514 CG2 :: 21.502 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 :: 7.66373 HA :: 5.02973 HB :: 1.46473 HG11 :: 0.27373 HG12 :: 0.27373 HG13 :: 0.27373 HG21 :: 0.14673 HG22 :: 0.14673 HG23 :: 0.14673 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 :: 111.173 Ave N Shift Values>> N :: 121.14(4.54) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.4 E 0.11 Q 0.04 C Shift Assignments>> C :: 175.047 CA :: 54.337 CB :: 33.067 CG :: 35.424 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 :: 9.16773 HA :: 4.52973 HB2 :: 1.76673 HB3 :: 1.58673 HG2 :: 2.30573 HG3 :: 2.16773 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 :: 125.293 Ave N Shift Values>> N :: 120.67(3.48) 1.S46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.847 CA :: 57.807 CB :: 63.397 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.90873 HA :: 3.80373 HB2 :: 3.61273 HB3 :: 2.54173(S) 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 :: 118.713 Ave N Shift Values>> N :: 116.28(3.52) 1.I47 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 :: 176.697 CA :: 62.167 CB :: 38.137 CG1 :: 29.12 CG2 :: 17.719 CD1 :: 14.414 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 :: 7.68273 HA :: 3.80573 HB :: 1.55273 HG12 :: 1.46473 HG13 :: 1.46473 HG21 :: 0.93773 HG22 :: 0.93773 HG23 :: 0.93773 HD11 :: 0.73573 HD12 :: 0.73573 HD13 :: 0.73573 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.973 Ave N Shift Values>> N :: 121.46(4.28) 1.K48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.26 F 0.26 C 0.13 D 0.12 L 0.08 N 0.06 I 0.05 C Shift Assignments>> C :: 176.047 CA :: 56.787 CB :: 39.507 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>> HA :: 4.47173 HB2 :: 3.07773 HB3 :: 2.91073 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) 1.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.37 Q 0.11 E 0.03 C Shift Assignments>> C :: 172.817 CA :: 54.437 CB :: 33.167 CG :: 33.937 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 :: 8.09273 HA :: 4.63573 HB2 :: 2.15973 HB3 :: 1.94073 HG2 :: 2.49873 HG3 :: 2.37173 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 :: 118.383 Ave N Shift Values>> N :: 120.09(3.57) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.43 A 0.03 M 0.02 C Shift Assignments>> CA :: 58.207 CB :: 38.807 CG2 :: 18.711 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 :: 6.83273 HA :: 4.84873 HB :: 1.66073 HG21 :: 0.99273 HG22 :: 0.99273 HG23 :: 0.99273 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 :: 107.933 Ave N Shift Values>> N :: 121.46(4.28) 1.P52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 176.297 CA :: 62.977 CB :: 32.417 CG :: 29.192 CD :: 49.199 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 :: 4.20273 HB2 :: 2.25573 HB3 :: 1.45273 HG2 :: 1.30373 HG3 :: 1.30373 HD2 :: 2.59973 HD3 :: 2.03573(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) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.477 CA :: 58.377 CB :: 29.417 CG :: 36.277 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 :: 8.54773 HA :: 4.01573 HB2 :: 1.98473 HB3 :: 1.94173 HG2 :: 2.27373 HG3 :: 2.27373 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 :: 122.443 Ave N Shift Values>> N :: 120.67(3.48) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.387 CA :: 45.097 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.61473 HA2 :: 4.22073 HA3 :: 3.67073 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.263 Ave N Shift Values>> N :: 109.67(3.87) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 176.407 CA :: 51.247 CB :: 20.217 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.77173 HA :: 4.55173 HB1 :: 1.44373 HB2 :: 1.44373 HB3 :: 1.44373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.213 Ave N Shift Values>> N :: 123.23(3.54) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 M 0.22 Q 0.03 K 0.01 C Shift Assignments>> C :: 175.967 CA :: 55.767 CB :: 31.437 CG :: 36.396 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 :: 8.38573 HA :: 4.41373 HB2 :: 2.14773 HB3 :: 2.01173 HG2 :: 2.46873 HG3 :: 2.42973 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 :: 120.943 Ave N Shift Values>> N :: 120.67(3.48) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 C Shift Assignments>> C :: 175.517 CA :: 56.107 CB :: 32.827 CG :: 24.346 CD :: 29.326 CE :: 42.236 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 :: 8.04973 HA :: 4.16773 HB2 :: 1.69973 HB3 :: 1.69973 HG2 :: 1.39773 HG3 :: 1.31173 HD2 :: 1.61973 HD3 :: 1.61973 HE2 :: 2.96073 HE3 :: 2.96073 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.433 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.4 C 0.14 C Shift Assignments>> C :: 173.677 CA :: 55.667 CB :: 41.817 CD1 :: 132.227 CD2 :: 132.227 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 :: 7.80173 HA :: 4.97373 HB2 :: 3.14473 HB3 :: 3.01873 HD1 :: 6.99673 HD2 :: 6.99673 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 :: 114.963 Ave N Shift Values>> N :: 120.45(4.18) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.24 M 0.16 K 0.08 Q 0.07 Y 0.06 F 0.03 N 0.02 I 0.01 H 0.01 C Shift Assignments>> C :: 174.327 CA :: 56.297 CB :: 35.677 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 :: 8.13073 HA :: 4.71673 HB2 :: 1.70073 HB3 :: 1.68573 HG2 :: 1.05373 HG3 :: 1.05373 HD2 :: 1.24273 HD3 :: 1.24273 HE2 :: 2.96073 HE3 :: 2.96073 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 :: 119.863 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.727 CA :: 57.007 CB :: 65.767 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.42173 HA :: 4.52973 HB2 :: 4.20873 HB3 :: 2.95373(S) 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 :: 123.923 Ave N Shift Values>> N :: 116.28(3.52) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 Q 0.2 K 0.19 C 0.17 R 0.07 H 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 177.517 CA :: 55.737 CB :: 33.387 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 :: 8.82073 HA :: 4.38973 HB2 :: 1.84273 HB3 :: 1.68273 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 :: 119.903 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.617 CA :: 62.477 CB :: 37.807 CG1 :: 28.075 CG2 :: 16.144 CD1 :: 13.07 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 :: 8.32873 HA :: 3.92373 HB :: 1.63473 HG12 :: 1.39373 HG13 :: 0.98873 HG21 :: 0.76673 HG22 :: 0.76673 HG23 :: 0.76673 HD11 :: 0.66073 HD12 :: 0.66073 HD13 :: 0.66073 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 :: 123.743 Ave N Shift Values>> N :: 121.46(4.28) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 C 0.23 Y 0.15 F 0.09 M 0.07 N 0.07 I 0.03 K 0.02 D 0.01 C Shift Assignments>> C :: 174.017 CA :: 56.317 CB :: 36.917 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 :: 8.49173 HA :: 4.41673 HB2 :: 3.50273 HB3 :: 3.11173 HD21 :: 7.62973 HD22 :: 7.10073 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 :: 115.323 ND2 :: 112.37 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.3 M 0.27 Q 0.02 C Shift Assignments>> C :: 175.997 CA :: 55.757 CB :: 32.067 CG :: 36.391 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 :: 7.68273 HA :: 4.61873 HB2 :: 2.26673 HB3 :: 2.01573 HG2 :: 2.34273 HG3 :: 2.34273 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.503 Ave N Shift Values>> N :: 120.67(3.48) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.12 C 0.11 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 175.147 CA :: 53.347 CB :: 38.247 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 :: 8.64973 HA :: 5.27773 HB2 :: 2.80073 HB3 :: 2.57673 HD21 :: 7.21473 HD22 :: 6.56373 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 :: 122.523 ND2 :: 108.46 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.22 Y 0.21 C Shift Assignments>> C :: 173.057 CA :: 58.567 CB :: 43.057 CD1 :: 130.737 CD2 :: 130.737 CE1 :: 116.497 CE2 :: 116.497 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 :: 8.77873 HA :: 4.78473 HB2 :: 2.93073 HB3 :: 2.87973 HD1 :: 6.93573 HD2 :: 6.93573 HE1 :: 6.47973 HE2 :: 6.47973 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.323 Ave N Shift Values>> N :: 120.52(4.2) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.767 CA :: 61.517 CB :: 32.467 CG1 :: 20.716 CG2 :: 20.711 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 :: 7.65973 HA :: 4.44173 HB :: 1.70173 HG11 :: 0.83073 HG12 :: 0.83073 HG13 :: 0.83073 HG21 :: 0.60273 HG22 :: 0.60273 HG23 :: 0.60273 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 :: 127.423 Ave N Shift Values>> N :: 121.14(4.54) 1.L68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 C 0.15 L 0.09 C Shift Assignments>> C :: 175.527 CA :: 52.997 CB :: 45.537 CG :: 26.368 CD1 :: 26.823 CD2 :: 26.823 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 :: 9.16273 HA :: 4.28373 HB2 :: 1.96573 HB3 :: 1.03073 HG :: 0.25573(S) HD11 :: 0.93973 HD12 :: 0.93973 HD13 :: 0.93973 HD21 :: 0.25773 HD22 :: 0.25773 HD23 :: 0.25773 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 :: 110.993 Ave N Shift Values>> N :: 121.86(3.9) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.627 CA :: 62.417 CB :: 68.657 CG2 :: 20.722 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 :: 8.38273 HA :: 4.58673 HB :: 3.88273 HG21 :: 0.92573 HG22 :: 0.92573 HG23 :: 0.92573 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 :: 123.213 Ave N Shift Values>> N :: 115.42(4.75) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> C :: 175.747 CA :: 59.707 CB :: 32.397 CG1 :: 19.195 CG2 :: 22.711 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 :: 8.14973 HA :: 4.31773 HB :: 1.74273 HG11 :: 0.63073 HG12 :: 0.63073 HG13 :: 0.63073 HG21 :: 0.27873 HG22 :: 0.27873 HG23 :: 0.27873 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 :: 120.683 Ave N Shift Values>> N :: 121.14(4.54) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.I112 1.I112 C Shift Assignments>> C :: 174.167 CA :: 63.147 CB :: 70.057 CG2 :: 22.024 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 :: 8.64973 HA :: 4.22173 HB :: 4.13173 HG21 :: 1.11973 HG22 :: 1.11973 HG23 :: 1.11973 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 :: 116.103 Ave N Shift Values>> N :: 115.42(4.75) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.23 C 0.23 R 0.11 M 0.1 P 0.01 C Shift Assignments>> C :: 174.587 CA :: 52.987 CB :: 28.777 CG :: 32.686 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 :: 7.82173 HA :: 4.78973 HB2 :: 2.06273 HB3 :: 1.93573 HG2 :: 2.33173 HG3 :: 2.33173 HE21 :: 7.44273 HE22 :: 6.81673 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 :: 120.373 NE2 :: 110.866 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 174.997 CA :: 62.797 CB :: 32.747 CG :: 27.616 CD :: 51.397 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 :: 4.29873 HB2 :: 2.32473 HB3 :: 2.03973 HG2 :: 2.14573 HG3 :: 1.92873 HD2 :: 4.00273 HD3 :: 3.75773 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>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 175.027 CA :: 43.867 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.82073 HA2 :: 4.59673 HA3 :: 3.59573 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.683 Ave N Shift Values>> N :: 109.67(3.87) 1.A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.9 C 0.04 L 0.03 C Shift Assignments>> C :: 175.747 CA :: 49.917 CB :: 21.077 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.83573 HA :: 5.77673(S) HB1 :: 1.15073 HB2 :: 1.15073 HB3 :: 1.15073 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.033 Ave N Shift Values>> N :: 123.23(3.54) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 174.017 CA :: 55.787 CB :: 40.427 CD1 :: 131.167 CD2 :: 131.167 CE1 :: 116.337 CE2 :: 116.337 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 :: 9.50673 HA :: 5.22773 HB2 :: 3.34473 HB3 :: 2.49373 HD1 :: 7.15773 HD2 :: 7.15773 HE1 :: 6.78773 HE2 :: 6.78773 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.903 Ave N Shift Values>> N :: 120.52(4.2) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 G 0.26 C 0.23 R 0.18 C Shift Assignments>> C :: 174.487 CA :: 53.957 CB :: 44.117 CG :: 27.967 CD1 :: 25.602 CD2 :: 26.397 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 :: 8.81873 HA :: 5.32773 HB2 :: 2.15873 HB3 :: 1.13073 HG :: 1.67573 HD11 :: 1.05873 HD12 :: 1.05873 HD13 :: 1.05873 HD21 :: 0.92173 HD22 :: 0.92173 HD23 :: 0.92173 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 :: 125.893 Ave N Shift Values>> N :: 121.86(3.9) 1.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.25 A 0.04 C Shift Assignments>> C :: 173.267 CA :: 57.817 CB :: 33.847 CG1 :: 21.839 CG2 :: 19.474 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 :: 8.69573 HA :: 4.84473 HB :: 1.75873 HG11 :: 0.66773 HG12 :: 0.66773 HG13 :: 0.66773 HG21 :: 0.33173 HG22 :: 0.33173 HG23 :: 0.33173 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 :: 118.473 Ave N Shift Values>> N :: 121.14(4.54) 1.K79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.58 C 0.12 D 0.08 Y 0.06 F 0.05 E 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.857 CA :: 52.987 CB :: 37.877 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 :: 8.90573 HA :: 5.72273(S) HB2 :: 1.90373 HB3 :: 1.54473 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 :: 114.573 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.18 M 0.13 Q 0.11 V 0.09 R 0.09 H 0.07 E 0.05 C Shift Assignments>> C :: 178.107 CA :: 58.517 CB :: 32.877 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.38873 HA :: 5.05973 HB2 :: 3.13573 HB3 :: 2.77273 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.553 Ave N Shift Values>> N :: 120.17(4.64) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.837 CA :: 64.827 CB :: 70.477 CG2 :: 22.576 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 :: 9.58173 HA :: 4.31573 HB :: 3.72673 HG21 :: 1.19873 HG22 :: 1.19873 HG23 :: 1.19873 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 :: 125.273 Ave N Shift Values>> N :: 115.42(4.75) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.26 S 0.23 T 0.18 P 0.14 I 0.13 C 0.02 C Shift Assignments>> C :: 179.537 CA :: 65.447 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) 1.H83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 M 0.18 C 0.18 Q 0.11 R 0.11 H 0.1 E 0.06 V 0.02 C Shift Assignments>> C :: 177.127 CA :: 56.877 CB :: 32.627 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 :: 8.22973 HA :: 5.14773 HB2 :: 3.86873 HB3 :: 3.41373 HD2 :: 6.98573 HE1 :: 8.22773 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.143 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 177.707 CA :: 60.857 CB :: 39.067 CD1 :: 131.507 CD2 :: 131.507 CE1 :: 116.477 CE2 :: 116.477 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 :: 8.19873 HA :: 4.39773 HB2 :: 3.70773 HB3 :: 2.97473 HD1 :: 7.05773 HD2 :: 7.05773 HE1 :: 6.64573 HE2 :: 6.64573 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 :: 127.973 Ave N Shift Values>> N :: 120.52(4.2) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 C 0.01 C Shift Assignments>> C :: 177.977 CA :: 53.717 CB :: 17.917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.50373 HA :: 3.79173 HB1 :: 1.46173 HB2 :: 1.46173 HB3 :: 1.46173 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.563 Ave N Shift Values>> N :: 123.23(3.54) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.41 Q 0.09 E 0.01 C Shift Assignments>> C :: 175.617 CA :: 55.427 CB :: 33.227 CG :: 33.162 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 :: 7.64173 HA :: 4.48173 HB2 :: 2.49073 HB3 :: 2.06873 HG2 :: 2.66873 HG3 :: 2.66873 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 113.413 Ave N Shift Values>> N :: 120.09(3.57) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.187 CA :: 45.477 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.36373 HA2 :: 4.21373 HA3 :: 3.27673 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.283 Ave N Shift Values>> N :: 109.67(3.87) 1.M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 R 0.14 E 0.13 H 0.12 K 0.12 M 0.08 V 0.07 Q 0.06 I 0.01 C Shift Assignments>> C :: 173.117 CA :: 58.787 CB :: 31.397 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 :: 7.34373 HA :: 3.98273 HB2 :: 2.41473 HB3 :: 2.39873 HG2 :: 2.41473 HG3 :: 2.41473 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 :: 121.853 Ave N Shift Values>> N :: 120.09(3.57) 1.I89 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.36 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> C :: 174.457 CA :: 58.737 CB :: 45.157 CG1 :: 25.612 CG2 :: 21.666 CD1 :: 15.218 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 :: 7.55173 HA :: 5.65273 HB :: 2.14573 HG12 :: 1.58373 HG13 :: 1.28573 HG21 :: 1.23073 HG22 :: 1.23073 HG23 :: 1.23073 HD11 :: 0.87473 HD12 :: 0.87473 HD13 :: 0.87473 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 :: 119.353 Ave N Shift Values>> N :: 121.46(4.28) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 L 0.07 C 0.04 C Shift Assignments>> C :: 173.697 CA :: 50.997 CB :: 21.217 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.36273 HA :: 4.76873 HB1 :: 0.69273 HB2 :: 0.69273 HB3 :: 0.69273 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.763 Ave N Shift Values>> N :: 123.23(3.54) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.26 L 0.15 A 0.02 C Shift Assignments>> C :: 174.217 CA :: 52.827 CB :: 46.487 CG :: 27.721 CD1 :: 24.234 CD2 :: 26.147 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 :: 8.90673 HA :: 5.35773 HB2 :: 1.89173 HB3 :: 1.07973 HG :: 1.41473 HD11 :: 0.82873 HD12 :: 0.82873 HD13 :: 0.82873 HD21 :: 0.76473 HD22 :: 0.76473 HD23 :: 0.76473 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 :: 121.643 Ave N Shift Values>> N :: 121.86(3.9) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.707 CA :: 59.457 CB :: 39.247 CG1 :: 27.333 CG2 :: 17.757 CD1 :: 14.551 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.33573 HA :: 4.79073 HB :: 1.73573 HG12 :: 1.56773 HG13 :: 0.75973 HG21 :: 0.46073 HG22 :: 0.46073 HG23 :: 0.46073 HD11 :: 0.60873 HD12 :: 0.60873 HD13 :: 0.60873 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 :: 124.433 Ave N Shift Values>> N :: 121.46(4.28) 1.A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 C 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.947 CA :: 50.907 CB :: 20.407 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.27473 HA :: 4.76573 HB1 :: 1.28973 HB2 :: 1.28973 HB3 :: 1.28973 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.573 Ave N Shift Values>> N :: 123.23(3.54) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 177.617 CA :: 61.117 CB :: 31.087 CG1 :: 22.789 CG2 :: 20.995 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 :: 8.96573 HA :: 4.63073 HB :: 2.69673 HG11 :: 0.71773 HG12 :: 0.71773 HG13 :: 0.71773 HG21 :: 0.51073 HG22 :: 0.51073 HG23 :: 0.51073 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 :: 124.543 Ave N Shift Values>> N :: 121.14(4.54) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.437 CA :: 43.757 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49573 HA2 :: 4.36673 HA3 :: 4.02173 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.893 Ave N Shift Values>> N :: 109.67(3.87) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.2 K 0.17 R 0.12 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 177.027 CA :: 54.937 CB :: 42.217 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 :: 8.20373 HA :: 4.54673 HB2 :: 2.66373 HB3 :: 2.58573 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 :: 116.923 Ave N Shift Values>> N :: 120.65(3.86) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.767 CB :: 63.007 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.69073 HA :: 4.24973 HB2 :: 3.86273 HB3 :: 3.74373 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 :: 113.253 Ave N Shift Values>> N :: 116.28(3.52) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 179.817 CA :: 62.987 CB :: 31.927 CG :: 27.968 CD :: 49.752 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 :: 4.43873 HB2 :: 2.56273 HB3 :: 1.52573 HG2 :: 2.09073 HG3 :: 1.85473 HD2 :: 3.66373 HD3 :: 3.66373 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.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.037 CA :: 55.017 CB :: 18.847 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.10573 HA :: 4.61973 HB1 :: 1.53373 HB2 :: 1.53373 HB3 :: 1.53373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.603 Ave N Shift Values>> N :: 123.23(3.54) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.19 E 0.08 M 0.08 Y 0.05 F 0.04 D 0.02 K 0.01 C Shift Assignments>> C :: 175.367 CA :: 52.977 CB :: 36.807 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 :: 8.66273 HA :: 5.00473 HB2 :: 3.15773 HB3 :: 2.70573 HD21 :: 7.92273 HD22 :: 7.80873 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 :: 111.703 ND2 :: 114.148 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.43 R 0.07 G 0.01 C Shift Assignments>> C :: 177.537 CA :: 58.797 CB :: 42.357 CG :: 26.925 CD1 :: 25.67 CD2 :: 24.995 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 :: 7.25373 HA :: 3.83973 HB2 :: 1.95573 HB3 :: 1.31373 HG :: 1.67473 HD11 :: 0.93273 HD12 :: 0.93273 HD13 :: 0.93273 HD21 :: 0.87973 HD22 :: 0.87973 HD23 :: 0.87973 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 :: 121.603 Ave N Shift Values>> N :: 121.86(3.9) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.28 C 0.13 I 0.08 L 0.08 D 0.07 N 0.01 K 0.01 C Shift Assignments>> C :: 178.957 CA :: 57.767 CB :: 39.937 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 :: 8.59473 HA :: 4.26573 HB2 :: 2.62073 HB3 :: 2.62073 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 :: 117.223 Ave N Shift Values>> N :: 120.65(3.86) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.24 K 0.22 R 0.07 E 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 178.357 CA :: 58.857 CB :: 28.137 CG :: 33.924 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 :: 7.73673 HA :: 3.98373 HB2 :: 2.17473 HB3 :: 2.17473 HG2 :: 2.41173 HG3 :: 2.41173 HE21 :: 7.41073 HE22 :: 6.79973 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 :: 119.793 NE2 :: 110.647 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 178.907 CA :: 64.807 CB :: 38.297 CG1 :: 29.16 CG2 :: 18.289 CD1 :: 14.966 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 :: 7.53473 HA :: 3.77373 HB :: 2.05373 HG12 :: 1.80173 HG13 :: 0.98173 HG21 :: 0.90973 HG22 :: 0.90973 HG23 :: 0.90973 HD11 :: 0.58873 HD12 :: 0.58873 HD13 :: 0.58873 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 :: 119.173 Ave N Shift Values>> N :: 121.46(4.28) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.517 CA :: 67.937 CB :: 31.677 CG1 :: 23.687 CG2 :: 21.992 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 :: 8.54673 HA :: 3.35973 HB :: 2.15573 HG11 :: 0.99473 HG12 :: 0.99473 HG13 :: 0.99473 HG21 :: 0.87673 HG22 :: 0.87673 HG23 :: 0.87673 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 :: 120.463 Ave N Shift Values>> N :: 121.14(4.54) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.787 CA :: 60.017 CB :: 63.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.92273 HA :: 4.25273 HB2 :: 3.91873 HB3 :: 3.88573 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 :: 111.343 Ave N Shift Values>> N :: 116.28(3.52) 1.A107 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 :: 178.677 CA :: 52.557 CB :: 19.277 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.12373 HA :: 4.16573 HB1 :: 1.44573 HB2 :: 1.44573 HB3 :: 1.44573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.523 Ave N Shift Values>> N :: 123.23(3.54) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.16 R 0.14 M 0.13 H 0.11 E 0.1 V 0.06 Q 0.05 C Shift Assignments>> C :: 175.957 CA :: 58.167 CB :: 31.947 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 :: 8.71973 HA :: 4.20973 HB2 :: 1.78673 HB3 :: 1.78673 HG2 :: 1.47873 HG3 :: 1.47873 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 :: 124.663 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K109 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 A 0.46 C Shift Assignments>> C :: 172.387 CA :: 54.417 CB :: 31.817 CG :: 21.045(S) CE :: 40.159 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 :: 8.12873 HA :: 4.88873 HB2 :: 1.98873 HB3 :: 1.66073 HG2 :: 1.50073 HG3 :: 1.50073 HE2 :: 2.78273 HE3 :: 2.78273 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.573 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P110 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.29 V 0.09 R 0.03 P 0.02 C Shift Assignments>> C :: 178.357 CA :: 60.507 CB :: 32.537 CG :: 24.726 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 :: 8.69673 HA :: 4.03673 HB2 :: 1.94673 HB3 :: 1.84473 HG2 :: 1.51873 HG3 :: 1.51873 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 :: 125.873 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 HN Overlap>> 1.T71 1.T71 C Shift Assignments>> C :: 177.277 CA :: 63.537 CB :: 37.887 CG1 :: 29.743 CG2 :: 17.891 CD1 :: 13.77 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 :: 8.54973 HA :: 4.06973 HB :: 1.74473 HG12 :: 1.53973 HG13 :: 1.13173 HG21 :: 0.74273 HG22 :: 0.74273 HG23 :: 0.74273 HD11 :: 0.92273 HD12 :: 0.92273 HD13 :: 0.92273 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.133 Ave N Shift Values>> N :: 121.46(4.28) 1.V113 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 :: 176.637 CA :: 66.247 CB :: 31.497 CG1 :: 21.862 CG2 :: 23.621 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 :: 6.57773 HA :: 3.42573 HB :: 2.09273 HG11 :: 1.01273 HG12 :: 1.01273 HG13 :: 1.01273 HG21 :: 0.52773 HG22 :: 0.52773 HG23 :: 0.52773 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.883 Ave N Shift Values>> N :: 121.14(4.54) 1.Q114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.33 K 0.15 Q 0.04 M 0.02 P 0.01 C Shift Assignments>> C :: 178.087 CA :: 58.927 CB :: 27.487 CG :: 31.465 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 :: 8.22873 HA :: 3.88173 HB2 :: 2.09873 HB3 :: 2.09873 HG2 :: 2.51473 HG3 :: 2.51473 HE21 :: 8.14273 HE22 :: 6.81673 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 :: 120.213 NE2 :: 116.093 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.32 I 0.21 K 0.03 M 0.01 C Shift Assignments>> C :: 180.037 CA :: 59.557 CB :: 29.737 CG :: 36.916 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 :: 8.52273 HA :: 4.03073 HB2 :: 2.13073 HB3 :: 2.04573 HG2 :: 2.50273 HG3 :: 2.24073 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 :: 116.883 Ave N Shift Values>> N :: 120.67(3.48) 1.R116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.37 G 0.1 K 0.03 C Shift Assignments>> C :: 178.527 CA :: 59.607 CB :: 29.697 CG :: 28.061 CD :: 43.554 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 :: 7.69773 HA :: 4.15073 HB2 :: 2.18173 HB3 :: 1.91773 HG2 :: 2.03373 HD2 :: 3.63273 HD3 :: 3.32273 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 :: 118.903 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.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 L 0.25 R 0.21 K 0.19 I 0.07 C Shift Assignments>> C :: 177.877 CA :: 57.917 CB :: 41.997 CG :: 27.411 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 :: 8.84573 HA :: 3.94673 HB2 :: 2.17073 HB3 :: 1.38773 HG :: 0.90273 HD11 :: 1.57273 HD12 :: 1.57273 HD13 :: 1.57273 HD21 :: 1.57273 HD22 :: 1.57273 HD23 :: 1.57273 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 :: 120.293 Ave N Shift Values>> N :: 121.86(3.9) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.37 E 0.19 K 0.01 C Shift Assignments>> C :: 179.697 CA :: 60.157 CB :: 29.247 CG :: 37.433 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 :: 8.59873 HA :: 3.85273 HB2 :: 2.12073 HB3 :: 2.05373 HG2 :: 2.66873 HG3 :: 2.19973 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 :: 116.553 Ave N Shift Values>> N :: 120.67(3.48) 1.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.12 G 0.01 HN Overlap>> 1.I89 1.I89 C Shift Assignments>> C :: 179.407 CA :: 59.467 CB :: 32.477 CG :: 25.411 CD :: 29.29 CE :: 42.275 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 :: 7.56773 HA :: 4.15973 HB2 :: 2.05173 HG2 :: 1.62873 HG3 :: 1.53473 HD2 :: 1.74973 HD3 :: 1.74973 HE2 :: 3.02373 HE3 :: 3.02373 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 :: 119.363 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 179.247 CA :: 66.107 CB :: 31.977 CG1 :: 22.806 CG2 :: 22.284 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 :: 8.39973 HA :: 3.82773 HB :: 2.42073 HG11 :: 1.16073 HG12 :: 1.16073 HG13 :: 1.16073 HG21 :: 1.06973 HG22 :: 1.06973 HG23 :: 1.06973 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 :: 120.103 Ave N Shift Values>> N :: 121.14(4.54) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.077 CA :: 64.737 CB :: 37.887 CG1 :: 28.792 CG2 :: 17.258 CD1 :: 13.829 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 :: 8.26173 HA :: 3.64073 HB :: 1.87473 HG12 :: 1.14373 HG13 :: 1.14373 HG21 :: 0.88673 HG22 :: 0.88673 HG23 :: 0.88673 HD11 :: 0.77073 HD12 :: 0.77073 HD13 :: 0.77073 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 :: 118.223 Ave N Shift Values>> N :: 121.46(4.28) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 179.157 CA :: 54.417 CB :: 18.447 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.69673 HA :: 4.16073 HB1 :: 1.51473 HB2 :: 1.51473 HB3 :: 1.51473 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.973 Ave N Shift Values>> N :: 123.23(3.54) 1.S123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.877 CA :: 59.287 CB :: 63.927 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.66773 HA :: 4.39873 HB2 :: 3.99073 HB3 :: 3.99073 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 :: 111.433 Ave N Shift Values>> N :: 116.28(3.52) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C 0.01 C Shift Assignments>> C :: 176.377 CA :: 52.597 CB :: 18.577 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.25173 HA :: 4.01473 HB1 :: 0.89373 HB2 :: 0.89373 HB3 :: 0.89373 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.653 Ave N Shift Values>> N :: 123.23(3.54) 1.K125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.43 Q 0.04 R 0.02 V 0.02 C Shift Assignments>> C :: 181.197 CA :: 57.727 CB :: 33.867 CG :: 24.703 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 :: 7.36473 HA :: 4.11373 HB2 :: 1.82773 HB3 :: 1.71773 HG2 :: 1.41773 HG3 :: 1.41773 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 :: 124.603 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.CU11 Overall Status: Residue type CU1 not supported. ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 125 #Suspicious: 0 C Shift Results: #Consistent: 496 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 799 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 124 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N11 H = 10.42873(S), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1498e-04 1.S46 HB3 = 2.54173(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.2633e-06 1.P52 HD3 = 2.03573(S), Expected = 3.61, Std = 0.3900, ChiSquare = 5.4234e-05 1.S60 HB3 = 2.95373(S), Expected = 3.85, Std = 0.2700, ChiSquare = 9.0173e-04 1.L68 HG = 0.25573(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.4422e-04 1.A75 HA = 5.77673(S), Expected = 4.26, Std = 0.4400, ChiSquare = 5.6661e-04 1.K79 HA = 5.72273(S), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6115e-04 1.I89 Typing: Mistyped 1.K109 CG = 21.045(S), Expected = 24.89, Std = 1.1300, ChiSquare = 6.6735e-04